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

Structure

InChI Key JGTJANXYSNVLMQ-UHFFFAOYSA-N
Smiles O=C(OCCN(CC)CC)C(C=1C=CC=CC1)N2CCCCC2
InChI
InChI=1/C19H30N2O2/c1-3-20(4-2)15-16-23-19(22)18(17-11-7-5-8-12-17)21-13-9-6-10-14-21/h5,7-8,11-12,18H,3-4,6,9-10,13-16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H30N2O2
Molecular Weight 318.23
AlogP 3.1
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 32.78
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 479-81-2
NORMAN SUSDAT
PubChem 72064