3-(propan-2-yl)pyrrolidine hydrochloride

• ChemBase ID: 236671
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: N1CC(C(C)C)CC1.Cl
• Canonical SMILES: CC(C1CNCC1)C.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-6(2)7-3-4-8-5-7;/h6-8H,3-5H2,1-2H3;1H
• InChIKey: HMXLFEQWPFPEEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(propan-2-yl)pyrrolidine hydrochloride
• IUPAC Traditional name: 3-isopropylpyrrolidine hydrochloride
• Synonyms: 3-(propan-2-yl)pyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD22369833
• PubChem SID: 164292581
• PubChem CID: 71755758

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9316278
• LogD (pH = 7.4): -1.8653332
• Log P: 1.3094796
• Molar Refractivity: 35.8556 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.823

Product Information

• Purity: 95%