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

Structure

InChI Key WEYQWUQFUYGMOF-UHFFFAOYSA-N
Smiles C1CCC(=CC1)CNCC2CCCN2
InChI
InChI=1S/C12H22N2/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h5,12-14H,1-4,6-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H22N2
Molecular Weight 194.18
AlogP 1.83
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 24.06
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 72135-46-7
NORMAN SUSDAT