Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZNX3HAT3CL
EPA CompTox DTXSID20222146

Structure

InChI Key VZTHTEUIDBTOLX-UHFFFAOYSA-N
Smiles N#CCCCCN1CCCC1
InChI
InChI=1/C9H16N2/c10-6-2-1-3-7-11-8-4-5-9-11/h1-5,7-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16N2
Molecular Weight 152.13
AlogP 1.78
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 27.03
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 71888-57-8
NORMAN SUSDAT
FDA SRS ZNX3HAT3CL
PubChem 97016