Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID601006158

Structure

InChI Key CRHCRZNTDDWSCP-UHFFFAOYSA-N
Smiles NC1=CC=C(C=C1C)CC2CCCCC2N
InChI
InChI=1/C14H22N2/c1-10-8-11(6-7-13(10)15)9-12-4-2-3-5-14(12)16/h6-8,12,14H,2-5,9,15-16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H22N2
Molecular Weight 218.18
AlogP 2.64
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 52.04
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 85586-58-9
NORMAN SUSDAT
PubChem 3020822