8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-ol

• ChemBase ID: 272362
• Molecular Formular: C11H19NO
• Molecular Mass: 181.27466
• Monoisotopic Mass: 181.14666423
• SMILES: N1(C2CC(CC1CC2)O)CC1CC1
• Canonical SMILES: OC1CC2CCC(C1)N2CC1CC1
• InChI: InChI=1S/C11H19NO/c13-11-5-9-3-4-10(6-11)12(9)7-8-1-2-8/h8-11,13H,1-7H2
• InChIKey: VHAPTJVFPQQDNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
• IUPAC Traditional name: 8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
• Synonyms: 8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-ol

Database IDs

• MDL Number: MFCD13196374
• PubChem SID: 164328272
• PubChem CID: 45792682

CALCULATED PROPERTIES

• Acid pKa: 15.160789
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6676288
• LogD (pH = 7.4): -2.0181334
• Log P: 0.81413794
• Molar Refractivity: 52.5358 cm^3
• Polarizability: 20.948929 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.411

Product Information

• Purity: 95%