8-(cyclopropylmethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol

• ChemBase ID: 281625
• Molecular Formular: C12H21NO
• Molecular Mass: 195.30124
• Monoisotopic Mass: 195.1623143
• SMILES: N1(C2CC(CC1CC2)(O)C)CC1CC1
• Canonical SMILES: CC1(O)CC2CCC(C1)N2CC1CC1
• InChI: InChI=1S/C12H21NO/c1-12(14)6-10-4-5-11(7-12)13(10)8-9-2-3-9/h9-11,14H,2-8H2,1H3
• InChIKey: TXVVJJVAFVKRIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13196437
• PubChem SID: 180667156
• PubChem CID: 45792736

CALCULATED PROPERTIES

• Acid pKa: 14.959948
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3904028
• LogD (pH = 7.4): -1.8013206
• Log P: 1.0947146
• Molar Refractivity: 57.174 cm^3
• Polarizability: 22.79212 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.93

Product Information

• Purity: 95%