Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key OUGLNWBGUSNCLT-UHFFFAOYSA-N
Smiles NCCCC=CCCC=CCCCN
InChI
InChI=1/C12H24N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h3-6H,1-2,7-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24N2
Molecular Weight 196.19
AlogP 2.36
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 52.04
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 55348-88-4
NORMAN SUSDAT
PubChem 3016960