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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:10:18 UTC
Update Date2025-03-25 01:20:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02362728
Frequency0.5
Structure
Chemical FormulaC7H17N2+
Molecular Mass129.1386
SMILESC[N+]1(C)CCCCNC1
InChI KeyOXXGSIYQGHNOPK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepanes
Subclass 1,3-diazepanes
Direct Parent 1,3-diazepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • aminals
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
    • Substituents
  • 1,3-diazepane
  • secondary aliphatic amine
  • tetraalkylammonium salt
  • azacycle
  • aminal
  • secondary amine
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine