2-ethyl-5-methylpyrrolidine hydrochloride

• ChemBase ID: 246237
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: N1C(CCC1CC)C.Cl
• Canonical SMILES: CCC1CCC(N1)C.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-3-7-5-4-6(2)8-7;/h6-8H,3-5H2,1-2H3;1H
• InChIKey: SEULUUQPLRPYQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-5-methylpyrrolidine hydrochloride
• IUPAC Traditional name: 2-ethyl-5-methylpyrrolidine hydrochloride
• Synonyms: 2-ethyl-5-methylpyrrolidine hydrochloride

Database IDs

• PubChem SID: 164302147
• PubChem CID: 71757925

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6728752
• LogD (pH = 7.4): -1.6314235
• Log P: 1.5685915
• Molar Refractivity: 35.596 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): 1.943

Product Information

• Purity: 95%