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

• ChemBase ID: 281602
• Molecular Formular: C11H21NO
• Molecular Mass: 183.29054
• Monoisotopic Mass: 183.1623143
• SMILES: N1(C2CC(CC1CC2)CO)C(C)C
• Canonical SMILES: OCC1CC2CCC(C1)N2C(C)C
• InChI: InChI=1S/C11H21NO/c1-8(2)12-10-3-4-11(12)6-9(5-10)7-13/h8-11,13H,3-7H2,1-2H3
• InChIKey: SSWVNXRHXBBBRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13196414
• PubChem SID: 180667133
• PubChem CID: 45792716

CALCULATED PROPERTIES

• Acid pKa: 15.466188
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2152073
• LogD (pH = 7.4): -1.5825695
• Log P: 1.2675444
• Molar Refractivity: 54.5792 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): 1.065

Product Information

• Purity: 95%