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

• ChemBase ID: 281268
• Molecular Formular: C11H19NO
• Molecular Mass: 181.27466
• Monoisotopic Mass: 181.14666423
• SMILES: N1(C2CC2)CC2C(C(C1)CCC2)O
• Canonical SMILES: OC1C2CCCC1CN(C2)C1CC1
• InChI: InChI=1S/C11H19NO/c13-11-8-2-1-3-9(11)7-12(6-8)10-4-5-10/h8-11,13H,1-7H2
• InChIKey: YFIZXQSZAVHMLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13806438
• PubChem SID: 180666799
• PubChem CID: 43810982

CALCULATED PROPERTIES

• Acid pKa: 14.61573
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4888854
• LogD (pH = 7.4): -1.260543
• Log P: 0.91328347
• Molar Refractivity: 52.5552 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): 1.694

Product Information

• Purity: 95%