Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60233099

Structure

InChI Key KNLXJOKXXMNECJ-UHFFFAOYSA-N
Smiles C(NCC1(CCNCC1)c1ccccc1)c1ccccc1
InChI
InChI=1S/C19H24N2/c1-3-7-17(8-4-1)15-21-16-19(11-13-20-14-12-19)18-9-5-2-6-10-18/h1-10,20-21H,11-16H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24N2
Molecular Weight 280.19
AlogP 3.1
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 24.06
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 84176-77-2
NORMAN SUSDAT
PubChem 804238
ChemSpider 239028.0