2,5-dimethylpyrrolidine hydrochloride

• ChemBase ID: 237463
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: N1C(CCC1C)C.Cl
• Canonical SMILES: CC1CCC(N1)C.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-5-3-4-6(2)7-5;/h5-7H,3-4H2,1-2H3;1H
• InChIKey: AFHNFHHYTYQLIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethylpyrrolidine hydrochloride
• IUPAC Traditional name: 2,5-dimethylpyrrolidine hydrochloride
• Synonyms: 2,5-dimethylpyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD22052744
• PubChem SID: 164293373
• PubChem CID: 12132022

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.195254
• LogD (pH = 7.4): -2.143705
• Log P: 1.046069
• Molar Refractivity: 31.072 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 193 - 195°C
• Hydrophobicity(logP): 1.414

Product Information

• Purity: 95%