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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:10:30 UTC
Update Date2025-03-24 21:31:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01802279
Frequency0.7
Structure
Chemical FormulaC8H16N2
Molecular Mass140.1313
SMILESC1CNCC2CCCN2C1
InChI KeyQBNOLQLKVNGFCG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepanes
Subclass 1,4-diazepanes
Direct Parent 1,4-diazepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • secondary aliphatic amine
  • 1,4-diazepane
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • secondary amine
  • aliphatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine