Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T3RCY5OD7A
EPA CompTox DTXSID20863598

Structure

InChI Key SNYUHPPZINRDSG-UHFFFAOYSA-N
Smiles O1CC1CN2CCC(CC2)C3CCN(CC3)CC4OC4
InChI
InChI=1/C16H28N2O2/c1-5-17(9-15-11-19-15)6-2-13(1)14-3-7-18(8-4-14)10-16-12-20-16/h13-16H,1-12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H28N2O2
Molecular Weight 280.22
AlogP 1.21
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 31.54
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 5696-17-3
NORMAN SUSDAT
FDA SRS T3RCY5OD7A
PubChem 21910