3-(2-methylpyrrolidin-2-yl)propan-1-ol

• ChemBase ID: 245718
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1C(CCCO)(C)CCC1
• Canonical SMILES: OCCCC1(C)CCCN1
• InChI: InChI=1S/C8H17NO/c1-8(5-3-7-10)4-2-6-9-8/h9-10H,2-7H2,1H3
• InChIKey: URVMAVWYKUWGMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylpyrrolidin-2-yl)propan-1-ol
• IUPAC Traditional name: 3-(2-methylpyrrolidin-2-yl)propan-1-ol
• Synonyms: 3-(2-methylpyrrolidin-2-yl)propan-1-ol

Database IDs

• MDL Number: MFCD23144130
• PubChem SID: 164301628
• PubChem CID: 71757782

CALCULATED PROPERTIES

• LogD (pH = 7.4): -2.7180157
• Log P: 0.44048312
• Molar Refractivity: 42.3451 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.971572
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8003805

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.485

Product Information

• Purity: 95%