Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50866451

Structure

InChI Key JAQIHZHFSKQFEI-UHFFFAOYSA-N
Smiles CC(C)C=NCC1(C)CC(CC(C)(C)C1)N=CC(C)C
InChI
InChI=1S/C18H34N2/c1-14(2)10-19-13-18(7)9-16(20-11-15(3)4)8-17(5,6)12-18/h10-11,14-16H,8-9,12-13H2,1-7H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H34N2
Molecular Weight 278.27
AlogP 5.03
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 24.72
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 54914-37-3
NORMAN SUSDAT
PubChem 108265
ChemSpider 97330.0