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CHEBI:84265 - N1-isopropyl-2-methylpropan-1,2-diamine

ChEBI IDCHEBI:84265
ChEBI NameN1-isopropyl-2-methylpropan-1,2-diamine
Stars
ASCII NameN(1)-isopropyl-2-methylpropan-1,2-diamine
DefinitionA primary aliphatic amine that is propan-1,2-diamine substituted by an isopropyl group at N1 and a methyl group at position 2. Metabolite observed in cancer metabolism.
Last Modified14 January 2015
Submitternamrata
DownloadsMolfile
FormulaC7H18N2
Net Charge0
Average Mass130.235
Monoisotopic Mass130.14700
SMILESCC(C)NCC(C)(C)N
InChIInChI=1S/C7H18N2/c1-6(2)9-5-7(3,4)8/h6,9H,5,8H2,1-4H3
InChIKeyBVVNMQQFLWWRFT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (25518943) Metabolite observed in cancer metabolism.
- MetaboLights (MTBLS150)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N1-isopropyl-2-methylpropan-1,2-diamine (CHEBI:84265) has role human metabolite (CHEBI:77746)
N1-isopropyl-2-methylpropan-1,2-diamine (CHEBI:84265) is a primary aliphatic amine (CHEBI:17062)
N1-isopropyl-2-methylpropan-1,2-diamine (CHEBI:84265) is a secondary aliphatic amine (CHEBI:50981)
IUPAC Name 
2-methyl-N1-(propan-2-yl)propane-1,2-diamine
Synonym  Source
2-amino-1,1-dimethylethylisopropylamineChemIDplus
Registry NumbersSources
Reaxys:1697834Reaxys
CAS:5448-29-3ChemIDplus
Citations