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CHEBI:186232 - Thenyldiamine

ChEBI IDCHEBI:186232
ChEBI NameThenyldiamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H19N3S
Net Charge0
Average Mass261.394
Monoisotopic Mass261.12997
SMILESCN(C)CCN(Cc1ccsc1)c1ccccn1
InChIInChI=1S/C14H19N3S/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyRCGYDFVCAAKKNG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Thenyldiamine (CHEBI:186232) is a dialkylarylamine (CHEBI:23665)
Thenyldiamine (CHEBI:186232) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
Manual XrefsDatabases
HMDB0240241HMDB
DB16022DrugBank
6799ChemSpider
Registry NumbersSources
CAS:91-79-2ChemIDplus