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

• ChemBase ID: 281623
• Molecular Formular: C11H21NO
• Molecular Mass: 183.29054
• Monoisotopic Mass: 183.1623143
• SMILES: N1(C2CC(CC1CC2)(O)C)CCC
• Canonical SMILES: CCCN1C2CCC1CC(C2)(C)O
• InChI: InChI=1S/C11H21NO/c1-3-6-12-9-4-5-10(12)8-11(2,13)7-9/h9-10,13H,3-8H2,1-2H3
• InChIKey: SFNQYIFIDPJSHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13196435
• PubChem SID: 180667154
• PubChem CID: 45792734

CALCULATED PROPERTIES

• Acid pKa: 14.959942
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.286451
• LogD (pH = 7.4): -1.6071019
• Log P: 1.1934677
• Molar Refractivity: 54.5046 cm^3
• Polarizability: 21.68083 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.185

Product Information

• Purity: 95%