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

Structure

InChI Key VEUUOOHXJMZARX-UHFFFAOYSA-N
Smiles CCC(C)C1CCCc2cccnc12
InChI
InChI=1S/C13H19N/c1-3-10(2)12-8-4-6-11-7-5-9-14-13(11)12/h5,7,9-10,12H,3-4,6,8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H19N1
Molecular Weight 189.15
AlogP 3.55
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 12.89
Heavy Atoms 14.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 67125735
ChemSpider 57609811.0