Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 183O9O9JE3
EPA CompTox DTXSID8046167

Structure

InChI Key FYOWWXMGDATDQY-UHFFFAOYSA-N
Smiles c1ccc(C2(N3CCCC3)CCCCC2)cc1
InChI
InChI=1S/C16H23N/c1-3-9-15(10-4-1)16(11-5-2-6-12-16)17-13-7-8-14-17/h1,3-4,9-10H,2,5-8,11-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H23N
Molecular Weight 229.18
AlogP 3.94
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 3.24
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 2201-39-0
NORMAN SUSDAT
FDA SRS 183O9O9JE3
PubChem 62436