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

• ChemBase ID: 281624
• Molecular Formular: C11H19NO
• Molecular Mass: 181.27466
• Monoisotopic Mass: 181.14666423
• SMILES: N1(C2CC(CC1CC2)(O)C)C1CC1
• Canonical SMILES: CC1(O)CC2CCC(C1)N2C1CC1
• InChI: InChI=1S/C11H19NO/c1-11(13)6-9-4-5-10(7-11)12(9)8-2-3-8/h8-10,13H,2-7H2,1H3
• InChIKey: VZMRWUZOWDMJFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13196436
• PubChem SID: 180667155
• PubChem CID: 45792735

CALCULATED PROPERTIES

• Acid pKa: 14.959898
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6600428
• LogD (pH = 7.4): -1.6054287
• Log P: 0.7797019
• Molar Refractivity: 52.4432 cm^3
• Polarizability: 20.948929 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.451

Product Information

• Purity: 95%