1,2-Dimethylbutylamine (CED0170394)

Record Information

Version

1.0

Creation Date

2026-04-05 03:35:12 UTC

Update Date

2026-04-05 03:35:12 UTC

SynCED ID

CED0170394

Secondary Accession Numbers

CHEM091590

Identification

Common Name

1,2-Dimethylbutylamine

Class

Small Molecule

Description

1,2-Dimethylbutylamine is an organic nitrogen compound with the formula C6H15N and an average molecular weight of 101.19 g/mol. 1,2-Dimethylbutylamine belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This compound has been identified in or released from three recorded sources. These include household items, specifically key rings, as well as electrical and electronic equipment, such as amplifiers and line transmission systems.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₁₅N

Average Molecular Mass

101.193 g/mol

Monoisotopic Mass

101.120 g/mol

CAS Registry Number

35399-81-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCC(C)C(C)N

InChI Identifier

InChI=1/C6H15N/c1-4-5(2)6(3)7/h5-6H,4,7H2,1-3H3

InChI Key

ZFAGOADKDXXTSV-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
258.0 Log mg/kg [150:460]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000505	Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.	Electrical & Electronic Equipment	Not Available
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	Not Available
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	Not Available
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	Not Available
CEDs000525	Line Transmission Systems?Line Transmission Systems, commonly used for the distribution of electrical energy, can be a source of synthetic chemical contamination through the insulation materials and coatings utilized in their construction.	Electrical & Electronic Equipment	Not Available
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	Not Available
CEDs000573	Key Rings?Key rings are commonly made from various synthetic materials, including plastics and metals, which can be sources of chemical contamination.	Household items	Not Available
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	Not Available
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	Not Available
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Leucine aminopeptidase	Q29571	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.261 Low confidence Statistical Significance 6.00e-05 Supporting Reference Compounds 1 E-value 0.467095
Click to view 3D structure	Tumor necrosis factor receptor superfamily member 16	Q9Z0W1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.256 Low confidence Statistical Significance 0.0015 Supporting Reference Compounds 1 E-value 12.0666
Click to view 3D structure	Aminopeptidase N	P15145	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.261 Low confidence Statistical Significance 0.0298 Supporting Reference Compounds 40 E-value 232.224
Click to view 3D structure	Dipeptidyl peptidase 8	Q6V1X1	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.294 Low confidence Statistical Significance 0.0251 Supporting Reference Compounds 57 E-value 195.557
Click to view 3D structure	Dipeptidyl peptidase 9	Q86TI2	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.294 Low confidence Statistical Significance 0.0253 Supporting Reference Compounds 55 E-value 196.803
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.231 Low confidence Statistical Significance 0.3093 Supporting Reference Compounds 297 E-value 2408.19
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21396	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.226 Low confidence Statistical Significance 0.1032 Supporting Reference Compounds 66 E-value 803.56
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.231 Low confidence Statistical Significance 0.2553 Supporting Reference Compounds 203 E-value 1987.57
Click to view 3D structure	Aminopeptidase N	P15144	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.261 Low confidence Statistical Significance 0.1066 Supporting Reference Compounds 42 E-value 830.184
Click to view 3D structure	SPRY domain-containing SOCS box protein 2	Q99619	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.205 Low confidence Statistical Significance 0.0122 Supporting Reference Compounds 1 E-value 94.7425
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.231 Low confidence Statistical Significance 0.3705 Supporting Reference Compounds 185 E-value 2884.0
Click to view 3D structure	Glutamate--cysteine ligase catalytic subunit	P48506	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0018 Supporting Reference Compounds 1 E-value 13.935
Click to view 3D structure	Aminopeptidase N	P04825	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0015 Supporting Reference Compounds 1 E-value 11.7552
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.231 Low confidence Statistical Significance 0.7397 Supporting Reference Compounds 593 E-value 5758.74
Click to view 3D structure	Dipeptidyl peptidase 9	E1BI31	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.294 Low confidence Statistical Significance 0.0011 Supporting Reference Compounds 3 E-value 8.71911
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P30994	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.231 Low confidence Statistical Significance 0.1151 Supporting Reference Compounds 40 E-value 895.889
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.231 Low confidence Statistical Significance 0.7767 Supporting Reference Compounds 506 E-value 6046.32
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.231 Low confidence Statistical Significance 0.7257 Supporting Reference Compounds 451 E-value 5649.44
Click to view 3D structure	Aminopeptidase B	O09175	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.261 Low confidence Statistical Significance 0.0383 Supporting Reference Compounds 8 E-value 298.396
Click to view 3D structure	Dipeptidyl peptidase 4	P27487	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.294 Low confidence Statistical Significance 0.3196 Supporting Reference Compounds 129 E-value 2488.37
Click to view 3D structure	Glutamyl aminopeptidase	Q07075	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.238 Low confidence Statistical Significance 0.0101 Supporting Reference Compounds 8 E-value 79.017
Click to view 3D structure	Trace amine-associated receptor 1	Q8HZ64	Macaca mulatta	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.231 Low confidence Statistical Significance 0.013 Supporting Reference Compounds 8 E-value 101.126
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.231 Low confidence Statistical Significance 0.7026 Supporting Reference Compounds 380 E-value 5470.08
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.194 Low confidence Statistical Significance 0.9059 Supporting Reference Compounds 955 E-value 7052.59
Click to view 3D structure	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.231 Low confidence Statistical Significance 0.3081 Supporting Reference Compounds 63 E-value 2398.22