8-methyl-8-azabicyclo[3.2.1]octan-3-ol hydrochloride

• ChemBase ID: 80395
• Molecular Formular: C8H16ClNO
• Molecular Mass: 177.67174
• Monoisotopic Mass: 177.09204182
• SMILES: N1(C2CC(CC1CC2)O)C.Cl
• Canonical SMILES: OC1CC2CCC(C1)N2C.Cl
• InChI: InChI=1S/C8H15NO.ClH/c1-9-6-2-3-7(9)5-8(10)4-6;/h6-8,10H,2-5H2,1H3;1H
• InChIKey: ASWRTDCDFPALAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-8-azabicyclo[3.2.1]octan-3-ol hydrochloride
• IUPAC Traditional name: tropine hydrochloride
• Synonyms: 8-methyl-8-azabicyclo[3.2.1]octan-3-ol hydrochloride

Database IDs

• MDL Number: MFCD07368497
• PubChem SID: 162067515
• PubChem CID: 2776078

CALCULATED PROPERTIES

• Acid pKa: 15.160811
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3879304
• LogD (pH = 7.4): -2.2382734
• Log P: 0.033560663
• Molar Refractivity: 40.5938 cm^3
• Polarizability: 16.15159 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true