(1-methylcyclobutyl)methanamine (CED0194121)

Record Information

Version

1.0

Creation Date

2026-08-23 06:39:17 UTC

Update Date

2026-08-23 06:39:17 UTC

SynCED ID

CED0194121

Secondary Accession Numbers

CHEM228636

Identification

Common Name

(1-methylcyclobutyl)methanamine

Class

Small Molecule

Description

(1-methylcyclobutyl)methanamine belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This organic nitrogen compound has the chemical formula C6H13N and an average molecular weight of 99.17 g/mol. It has been identified in one recorded source, where it is found in or released from electrical and electronic equipment, specifically amplifiers.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₁₃N

Average Molecular Mass

99.170 g/mol

Monoisotopic Mass

99.105 g/mol

CAS Registry Number

933722-69-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C6H13N/c1-6(5-7)3-2-4-6/h2-5,7H2,1H3

InChI Key

NZBCGJVYSMLKRN-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
213.0 Log mg/kg [120:380]	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	Description	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	PubChem

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	Voltage-dependent calcium channel subunit alpha-2/delta-1	P54290	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.276 Low confidence Statistical Significance 7.00e-05 Supporting Reference Compounds 2 E-value 0.544945
Click to view 3D structure	Voltage-dependent calcium channel alpha2delta subunit	O77773	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.276 Low confidence Statistical Significance 7.00e-05 Supporting Reference Compounds 4 E-value 0.544945
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.188 Low confidence Statistical Significance 0.9814 Supporting Reference Compounds 593 E-value 7639.97
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.188 Low confidence Statistical Significance 0.9789 Supporting Reference Compounds 451 E-value 7620.82
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.171 Low confidence Statistical Significance 0.9905 Supporting Reference Compounds 506 E-value 7710.81
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.188 Low confidence Statistical Significance 0.9859 Supporting Reference Compounds 340 E-value 7675.54
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.188 Low confidence Statistical Significance 0.9875 Supporting Reference Compounds 427 E-value 7687.38
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.188 Low confidence Statistical Significance 0.9909 Supporting Reference Compounds 373 E-value 7714.23
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.188 Low confidence Statistical Significance 0.9892 Supporting Reference Compounds 297 E-value 7701.08
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.188 Low confidence Statistical Significance 0.9912 Supporting Reference Compounds 310 E-value 7716.1
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.175 Low confidence Statistical Significance 0.9979 Supporting Reference Compounds 1498 E-value 7768.57
Click to view 3D structure	Beta-lactoglobulin	P02754	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.149 Low confidence Statistical Significance 0.0101 Supporting Reference Compounds 2 E-value 78.7056
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.15 Low confidence Statistical Significance 0.9733 Supporting Reference Compounds 297 E-value 7577.22
Click to view 3D structure	Nucleoside diphosphate phosphatase ENTPD5	O75356	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.14 Low confidence Statistical Significance 0.0393 Supporting Reference Compounds 1 E-value 306.259
Click to view 3D structure	Prostaglandin reductase 1	P97584	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.14 Low confidence Statistical Significance 0.0131 Supporting Reference Compounds 1 E-value 101.671
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.172 Low confidence Statistical Significance 0.9932 Supporting Reference Compounds 406 E-value 7732.14
Click to view 3D structure	Glyceraldehyde-3-phosphate dehydrogenase	P46406	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.139 Low confidence Statistical Significance 0.005 Supporting Reference Compounds 1 E-value 38.9246
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.188 Low confidence Statistical Significance 0.9957 Supporting Reference Compounds 861 E-value 7751.76
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.146 Low confidence Statistical Significance 0.9952 Supporting Reference Compounds 562 E-value 7747.48
Click to view 3D structure	Alpha-1A adrenergic receptor	P43140	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.146 Low confidence Statistical Significance 0.9802 Supporting Reference Compounds 208 E-value 7630.62
Click to view 3D structure	Sigma intracellular receptor 2	Q5BJF2	Humans	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.146 Low confidence Statistical Significance 0.9934 Supporting Reference Compounds 308 E-value 7733.7
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.146 Low confidence Statistical Significance 0.9974 Supporting Reference Compounds 532 E-value 7765.07
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.188 Low confidence Statistical Significance 0.9923 Supporting Reference Compounds 472 E-value 7724.98
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.143 Low confidence Statistical Significance 0.9989 Supporting Reference Compounds 1538 E-value 7776.2
Click to view 3D structure	Transporter	Q63380	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.136 Low confidence Statistical Significance 0.8431 Supporting Reference Compounds 54 E-value 6563.23