3-methyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

• ChemBase ID: 281622
• Molecular Formular: C11H21NO
• Molecular Mass: 183.29054
• Monoisotopic Mass: 183.1623143
• SMILES: N1(C2CC(CC1CC2)(O)C)C(C)C
• Canonical SMILES: CC(N1C2CCC1CC(C2)(C)O)C
• InChI: InChI=1S/C11H21NO/c1-8(2)12-9-4-5-10(12)7-11(3,13)6-9/h8-10,13H,4-7H2,1-3H3
• InChIKey: WZUXCSQDGUYZOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
• IUPAC Traditional name: 8-isopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
• Synonyms: 3-methyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

Database IDs

• MDL Number: MFCD13196434
• PubChem SID: 180667153
• PubChem CID: 21304868

CALCULATED PROPERTIES

• Acid pKa: 14.959912
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3932443
• LogD (pH = 7.4): -1.7272885
• Log P: 1.0875204
• Molar Refractivity: 54.3994 cm^3
• Polarizability: 21.68083 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.965

Product Information

• Purity: 95%