Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FD72T13M0K

Structure

InChI Key OLTAWOVKGWWERU-UHFFFAOYSA-N
Smiles CCC(c1ccccc1)c2noc(CCN(CC)CC)n2
InChI
InChI=1S/C17H25N3O/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H25N3O1
Molecular Weight 287.2
AlogP 3.5
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 42.16
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 5696-09-3
NORMAN SUSDAT
FDA SRS FD72T13M0K