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

Structure

InChI Key GDZSQVAGVQBFQP-UHFFFAOYSA-N
Smiles Cl.Cl.C=1C=CC(=CC1)CN2CCC(N3CCCC3)CC2
InChI
InChI=1/C16H24N2.2ClH/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18;;/h1-3,6-7,16H,4-5,8-14H2;2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H24N2
Molecular Weight 316.15
AlogP 3.59
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 6.48
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 4983-38-4
NORMAN SUSDAT
PubChem 21155861