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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:54:34 UTC
Update Date2025-03-24 21:23:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01764867
Frequency0.7
Structure
Chemical FormulaC8H14N2
Molecular Mass138.1157
SMILESC1CCN2CCCC2=NC1
InChI KeyVCDGIIXLUSKSCX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepines
Subclass 1,3-diazepines
Direct Parent 1,3-diazepines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • carboximidamides
  • hydrocarbon derivatives
  • imidolactams
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • meta-diazepine
  • azacycle
  • n-alkylpyrrolidine
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • imidolactam