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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:09:31 UTC
Update Date2025-03-25 01:19:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02360929
Frequency0.5
Structure
Chemical FormulaC6H12N2
Molecular Mass112.1
SMILESCC1=NCCN(C)C1
InChI KeyVTRSMFMQZYQIKV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass imines
Direct Parent ketimines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • trialkylamines
    • Substituents
  • ketimine
  • azacycle
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteromonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • amine
  • tertiary amine
  • organoheterocyclic compound