8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

• ChemBase ID: 281563
• Molecular Formular: C10H19NO
• Molecular Mass: 169.26396
• Monoisotopic Mass: 169.14666423
• SMILES: N1(C2CC(CC1CC2)O)C(C)C
• Canonical SMILES: OC1CC2CCC(C1)N2C(C)C
• InChI: InChI=1S/C10H19NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3
• InChIKey: YYDQYSQZIUSKFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
• IUPAC Traditional name: 8-isopropyl-8-azabicyclo[3.2.1]octan-3-ol
• Synonyms: 8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

Database IDs

• MDL Number: MFCD04037432
• PubChem SID: 180667094
• PubChem CID: 103007

CALCULATED PROPERTIES

• Acid pKa: 15.160756
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6710513
• LogD (pH = 7.4): -1.9627812
• Log P: 0.80694366
• Molar Refractivity: 49.7612 cm^3
• Polarizability: 19.837076 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90 - 92°C
• Hydrophobicity(logP): 0.446

Product Information

• Purity: 95%