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CHEBI:188780 - 6-(Diisopropylamino)-6-(3-thienyl)hexanenitrile

Default Structure
ChEBI IDCHEBI:188780
ChEBI Name6-(Diisopropylamino)-6-(3-thienyl)hexanenitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26N2S
Net Charge0
Average Mass278.465
Monoisotopic Mass278.18167
SMILESCC(C)N(C(C)C)C(CCCCC#N)c1ccsc1
InChIInChI=1S/C16H26N2S/c1-13(2)18(14(3)4)16(8-6-5-7-10-17)15-9-11-19-12-15/h9,11-14,16H,5-8H2,1-4H3
InChIKeyBXDDDCYILUNNRV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
6-(Diisopropylamino)-6-(3-thienyl)hexanenitrile (CHEBI:188780) is a aralkylamine (CHEBI:18000)
IUPAC Name 
6-[di(propan-2-yl)amino]-6-thiophen-3-ylhexanenitrile
Manual XrefsDatabases
32779452ChemSpider