1,2,2-trimethylcyclohexan-1-amine (CED0224277)

Record Information

Version

1.0

Creation Date

2026-08-25 15:20:45 UTC

Update Date

2026-08-25 15:20:45 UTC

SynCED ID

CED0224277

Secondary Accession Numbers

CHEM266594

Identification

Common Name

1,2,2-trimethylcyclohexan-1-amine

Class

Small Molecule

Description

1,2,2-trimethylcyclohexan-1-amine belongs to the cyclohexylamines, a subclass of organonitrogen compounds within the organic compounds. This organic nitrogen compound has the chemical formula C9H19N and an average molecular weight of 141.25 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₁₉N

Average Molecular Mass

141.250 g/mol

Monoisotopic Mass

141.152 g/mol

CAS Registry Number

34216-34-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C9H19N/c1-8(2)6-4-5-7-9(8,3)10/h4-7,10H2,1-3H3

InChI Key

FVCWZBVQRLEGDH-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
961.0 Log mg/kg [540:1700]	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
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	PubChem
CEDs000621	Chutes And Slides?Chutes and slides, commonly found in playgrounds and recreational areas, are often constructed from synthetic materials such as plastics and rubber.	Recreation & sports surfaces	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
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	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	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 0.178 Applicability Domain 0.194 Low confidence Statistical Significance 3.00e-04 Supporting Reference Compounds 2 E-value 2.33548
Click to view 3D structure	Glyceraldehyde-3-phosphate dehydrogenase	P46406	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.171 Low confidence Statistical Significance 7.30e-04 Supporting Reference Compounds 1 E-value 5.68299
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.214 Low confidence Statistical Significance 0.9817 Supporting Reference Compounds 406 E-value 7642.15
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.167 Low confidence Statistical Significance 0.9902 Supporting Reference Compounds 562 E-value 7708.55
Click to view 3D structure	Matrix protein 2	P06821	Influenza A virus	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.24 Low confidence Statistical Significance 1.90e-04 Supporting Reference Compounds 4 E-value 1.47914
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.15 Low confidence Statistical Significance 0.9932 Supporting Reference Compounds 451 E-value 7731.98
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.15 Low confidence Statistical Significance 0.9948 Supporting Reference Compounds 593 E-value 7744.6
Click to view 3D structure	Beta-lactoglobulin	P02754	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.159 Low confidence Statistical Significance 0.0097 Supporting Reference Compounds 2 E-value 75.4359
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.15 Low confidence Statistical Significance 0.9944 Supporting Reference Compounds 506 E-value 7741.48
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	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.146 Low confidence Statistical Significance 0.9967 Supporting Reference Compounds 532 E-value 7759.54
Click to view 3D structure	Acetylcholinesterase	O42275	Electrophorus electricus	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.214 Low confidence Statistical Significance 0.9803 Supporting Reference Compounds 206 E-value 7631.48
Click to view 3D structure	Sigma intracellular receptor 2	Q5BJF2	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.146 Low confidence Statistical Significance 0.9924 Supporting Reference Compounds 308 E-value 7725.52
Click to view 3D structure	Glutamate receptor ionotropic, NMDA 2C	Q00961	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.214 Low confidence Statistical Significance 0.7194 Supporting Reference Compounds 35 E-value 5600.4
Click to view 3D structure	Alpha-1A adrenergic receptor	P43140	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.146 Low confidence Statistical Significance 0.9787 Supporting Reference Compounds 208 E-value 7619.41
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.146 Low confidence Statistical Significance 0.9949 Supporting Reference Compounds 427 E-value 7745.22
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.149 Low confidence Statistical Significance 0.9937 Supporting Reference Compounds 215 E-value 7736.19
Click to view 3D structure	Dipeptidyl peptidase 4	P27487	Humans	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.167 Low confidence Statistical Significance 0.97 Supporting Reference Compounds 129 E-value 7551.69
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.146 Low confidence Statistical Significance 0.9968 Supporting Reference Compounds 527 E-value 7760.09
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.14 Low confidence Statistical Significance 0.9304 Supporting Reference Compounds 98 E-value 7243.09
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.147 Low confidence Statistical Significance 0.964 Supporting Reference Compounds 207 E-value 7504.9
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.143 Low confidence Statistical Significance 0.9986 Supporting Reference Compounds 1498 E-value 7774.33
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.14 Low confidence Statistical Significance 0.9962 Supporting Reference Compounds 373 E-value 7755.11
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.137 Low confidence Statistical Significance 0.9908 Supporting Reference Compounds 528 E-value 7713.07
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.143 Low confidence Statistical Significance 0.9978 Supporting Reference Compounds 686 E-value 7767.8