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

Structure

InChI Key AAXAYVRBVIEQNS-UHFFFAOYSA-N
Smiles CCCCCCCCOCC(O)CC(CN)NCCN
InChI
InChI=1S/C15H35N3O2/c1-2-3-4-5-6-7-10-20-13-15(19)11-14(12-17)18-9-8-16/h14-15,18-19H,2-13,16-17H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H35N3O2
Molecular Weight 289.27
AlogP 0.99
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 15.0
Polar Surface Area 93.53
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 53584-20-6
NORMAN SUSDAT