9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-ol

• ChemBase ID: 281561
• Molecular Formular: C11H19NO
• Molecular Mass: 181.27466
• Monoisotopic Mass: 181.14666423
• SMILES: N1(C2CC(CC1CCC2)O)C1CC1
• Canonical SMILES: OC1CC2CCCC(C1)N2C1CC1
• InChI: InChI=1S/C11H19NO/c13-11-6-9-2-1-3-10(7-11)12(9)8-4-5-8/h8-11,13H,1-7H2
• InChIKey: FJYOGAGPRKFZII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-ol
• IUPAC Traditional name: 9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-ol
• Synonyms: 9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-ol

Database IDs

• MDL Number: MFCD13196370
• PubChem SID: 180667092
• PubChem CID: 45792680

CALCULATED PROPERTIES

• Acid pKa: 15.1607485
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.458277
• LogD (pH = 7.4): -1.2292156
• Log P: 0.9436939
• Molar Refractivity: 52.406 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): 0.491

Product Information

• Purity: 95%