Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60234203

Structure

InChI Key VCHPFLZWIASTCB-UHFFFAOYSA-N
Smiles CC(C)CN(CCCN1CCOCC1)CC(C)C
InChI
InChI=1S/C15H32N2O/c1-14(2)12-17(13-15(3)4)7-5-6-16-8-10-18-11-9-16/h14-15H,5-13H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H32N2O1
Molecular Weight 256.25
AlogP 2.32
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 15.71
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 85098-95-9
NORMAN SUSDAT
PubChem 11970895
ChemSpider 10144276.0