8-propyl-8-azabicyclo[3.2.1]octan-3-ol

• ChemBase ID: 281564
• Molecular Formular: C10H19NO
• Molecular Mass: 169.26396
• Monoisotopic Mass: 169.14666423
• SMILES: N1(C2CC(CC1CC2)O)CCC
• Canonical SMILES: CCCN1C2CCC1CC(C2)O
• InChI: InChI=1S/C10H19NO/c1-2-5-11-8-3-4-9(11)7-10(12)6-8/h8-10,12H,2-7H2,1H3
• InChIKey: ICLCILJDFDMZEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03085978
• PubChem SID: 180667095
• PubChem CID: 273036

CALCULATED PROPERTIES

• Acid pKa: 15.160786
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5633013
• LogD (pH = 7.4): -1.8296944
• Log P: 0.91289103
• Molar Refractivity: 49.8664 cm^3
• Polarizability: 19.837076 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.666

Product Information

• Purity: 95%