{8-propyl-8-azabicyclo[3.2.1]octan-3-yl}methanol

• ChemBase ID: 281603
• Molecular Formular: C11H21NO
• Molecular Mass: 183.29054
• Monoisotopic Mass: 183.1623143
• SMILES: N1(C2CC(CC1CC2)CO)CCC
• Canonical SMILES: CCCN1C2CCC1CC(C2)CO
• InChI: InChI=1S/C11H21NO/c1-2-5-12-10-3-4-11(12)7-9(6-10)8-13/h9-11,13H,2-8H2,1H3
• InChIKey: ZSTAFUBLHLXICR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {8-propyl-8-azabicyclo[3.2.1]octan-3-yl}methanol
• IUPAC Traditional name: {8-propyl-8-azabicyclo[3.2.1]octan-3-yl}methanol
• Synonyms: {8-propyl-8-azabicyclo[3.2.1]octan-3-yl}methanol

Database IDs

• MDL Number: MFCD13196415
• PubChem SID: 180667134
• PubChem CID: 45792717

CALCULATED PROPERTIES

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.466189
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1086364
• LogD (pH = 7.4): -1.4652455
• Log P: 1.3734918
• Molar Refractivity: 54.6844 cm^3
• Polarizability: 21.68083 Å^3
• Polar Surface Area: 23.47 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.285

Product Information

• Purity: 95%