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

Structure

InChI Key ZBYVFAJAGLLMEO-UHFFFAOYSA-N
Smiles [Cl-].[Cl-].C=1C=CC(=CC1)C[NH+]2CCC(CC2)[NH+](C)C
InChI
InChI=1/C14H22N2.2ClH/c1-15(2)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13;;/h3-7,14H,8-12H2,1-2H3;2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H22N2
Molecular Weight 290.13
AlogP 3.06
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 6.48
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 4876-56-6
NORMAN SUSDAT
PubChem 416066