Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6OLQ55F914

Structure

InChI Key DOWWDQZIFWLREB-SQFISAMPSA-N
Smiles C1CCC(=Cc2ccccc2)C(C1)N3CCC3
InChI
InChI=1S/C16H21N/c1-2-7-14(8-3-1)13-15-9-4-5-10-16(15)17-11-6-12-17/h1-3,7-8,13,16H,4-6,9-12H2/b15-13-

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H21N1
Molecular Weight 227.17
AlogP 3.72
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 87936-75-2
NORMAN SUSDAT
FDA SRS 6OLQ55F914