Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:03:47 UTC
Update Date2025-03-24 19:52:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01066222
Frequency1.3
Structure
Chemical FormulaC6H14N2
Molecular Mass114.1157
SMILESCN1CCCNCC1
InChI KeyFXHRAKUEZPSMLJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepanes
Subclass 1,4-diazepanes
Direct Parent 1,4-diazepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • secondary aliphatic amine
  • 1,4-diazepane
  • azacycle
  • tertiary aliphatic amine
  • secondary amine
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine