(4r)-7aza-7,8-Dihydrolimonene

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.

Trialkylamines

Organic compounds

Organonitrogen compounds

Amines

Tertiary amines

Calculated Property

kind Value Source
logP 2.09 ALOGPS
logS -0.27 ALOGPS
Water Solubility 7.44e+01 g/l ALOGPS
logP 1.87 ChemAxon
IUPAC Name (1R)-N,N,4-trimethylcyclohex-3-en-1-amine ChemAxon
Traditional IUPAC Name (4r)-7aza-7,8-dihydrolimonene ChemAxon
Molecular Weight 139.238 ChemAxon
Monoisotopic Weight 139.136099549 ChemAxon
SMILES CN(C)[C@@H]1CCC(C)=CC1 ChemAxon
Molecular Formula C9H17N ChemAxon
InChI InChI=1S/C9H17N/c1-8-4-6-9(7-5-8)10(2)3/h4,9H,5-7H2,1-3H3/t9-/m0/s1 ChemAxon
InChIKey InChIKey=LDFVYCXKPXXSNO-VIFPVBQESA-N ChemAxon
Polar Surface Area (PSA) 3.24 ChemAxon
Refractivity 46.4 ChemAxon
Polarizability 17.7 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) 10.16 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon