CHEBI:84267 - N-methylbutan-2-amine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-methylbutan-2-amine
ChEBI ID CHEBI:84267
ChEBI ASCII Name N-methylbutan-2-amine
Definition A secondary aliphatic amine that is sec-butylamine substituted by a methyl group at the N atom. Metabolite observed in cancer metabolism.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C5H13N
Net Charge 0
Average Mass 87.16340
Monoisotopic Mass 87.10480
InChI InChI=1S/C5H13N/c1-4-5(2)6-3/h5-6H,4H2,1-3H3
InChIKey PYFSCIWXNSXGNS-UHFFFAOYSA-N
SMILES CCC(C)NC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Metabolite observed in cancer metabolism. See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-methylbutan-2-amine (CHEBI:84267) has functional parent sec-butylamine (CHEBI:74526)
N-methylbutan-2-amine (CHEBI:84267) has role human metabolite (CHEBI:77746)
N-methylbutan-2-amine (CHEBI:84267) is a secondary aliphatic amine (CHEBI:50981)
IUPAC Name
N-methylbutan-2-amine
Synonyms Sources
N,1-dimethylpropylamine ChemIDplus
N-methyl-2-butanamine ChEBI
Registry Numbers Types Sources
1361350 Reaxys Registry Number Reaxys
7713-69-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
25518943 PubMed citation Europe PMC
Last Modified
14 January 2015