Pseudotropine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.

Tropane alkaloids

Organic compounds

Alkaloids and derivatives

Tropane alkaloids

Calculated Property

kind Value Source
logP 0.86 ALOGPS
logS 0.66 ALOGPS
Water Solubility 6.45e+02 g/l ALOGPS
logP 0.034 ChemAxon
IUPAC Name (1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol ChemAxon
Traditional IUPAC Name tropine ChemAxon
Molecular Weight 141.2108 ChemAxon
Monoisotopic Weight 141.115364107 ChemAxon
SMILES CN1[C@H]2CC[C@@H]1C[C@H](O)C2 ChemAxon
Molecular Formula C8H15NO ChemAxon
InChI InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8+ ChemAxon
InChIKey InChIKey=CYHOMWAPJJPNMW-JIGDXULJSA-N ChemAxon
Polar Surface Area (PSA) 23.47 ChemAxon
Refractivity 40.59 ChemAxon
Polarizability 16.04 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 15.16 ChemAxon
pKa (strongest basic) 9.7 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon