8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-ol

• ChemBase ID: 281565
• Molecular Formular: C10H17NO
• Molecular Mass: 167.24808
• Monoisotopic Mass: 167.13101417
• SMILES: N1(C2CC(CC1CC2)O)C1CC1
• Canonical SMILES: OC1CC2CCC(C1)N2C1CC1
• InChI: InChI=1S/C10H17NO/c12-10-5-8-3-4-9(6-10)11(8)7-1-2-7/h7-10,12H,1-6H2
• InChIKey: LYUJOJBETYHFRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13196373
• PubChem SID: 180667096
• PubChem CID: 20482464

CALCULATED PROPERTIES

• Acid pKa: 15.160748
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9325485
• LogD (pH = 7.4): -1.832797
• Log P: 0.4991252
• Molar Refractivity: 47.805 cm^3
• Polarizability: 19.106407 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.068

Product Information

• Purity: 95%