2-methyl-2-(pyrrolidin-1-yl)propan-1-ol

• ChemBase ID: 308311
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1(C(CO)(C)C)CCCC1
• Canonical SMILES: OCC(N1CCCC1)(C)C
• InChI: InChI=1S/C8H17NO/c1-8(2,7-10)9-5-3-4-6-9/h10H,3-7H2,1-2H3
• InChIKey: NRXIXDFFYWZZNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(pyrrolidin-1-yl)propan-1-ol
• IUPAC Traditional name: 2-methyl-2-(pyrrolidin-1-yl)propan-1-ol
• Synonyms: 2-methyl-2-(1-pyrrolidinyl)-1-propanol

Database IDs

• CAS Number: 101258-96-2
• MDL Number: MFCD10686607

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8735213
• LogD (pH = 7.4): -2.1446488
• Log P: 0.6030166
• Molar Refractivity: 42.8784 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 23.47 Å^2