EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:59018 - N-methylcyclohexylamine

ChEBI IDCHEBI:59018
ChEBI NameN-methylcyclohexylamine
Stars
ASCII NameN-methylcyclohexylamine
DefinitionA secondary aliphatic amine having methyl and cyclohexyl as the two alkyl groups.
Last Modified24 April 2014
SubmitterSteve
DownloadsMolfile
FormulaC7H15N
Net Charge0
Average Mass113.204
Monoisotopic Mass113.12045
SMILESCNC1CCCCC1
InChIInChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3
InChIKeyXTUVJUMINZSXGF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
N-methylcyclohexylamine (CHEBI:59018) has role human xenobiotic metabolite (CHEBI:76967)
N-methylcyclohexylamine (CHEBI:59018) is a secondary aliphatic amine (CHEBI:50981)
IUPAC Name 
N-methylcyclohexanamine
Synonyms  Source
(Methylamino)cyclohexaneChemIDplus
CyclohexylmethylamineChemIDplus
MethylcyclohexylamineChemIDplus
N-CyclohexylmethylamineChemIDplus
N-Methyl-N-cyclohexylamineChemIDplus
N-MethylcyclohexanamineChemIDplus
Registry NumbersSources
Gmelin:363150Gmelin
Reaxys:1523664Reaxys
CAS:100-60-7ChemIDplus
CAS:100-60-7NIST Chemistry WebBook
Citations