2-ethylpyrrolidine

• ChemBase ID: 261705
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: N1C(CC)CCC1
• Canonical SMILES: CCC1CCCN1
• InChI: InChI=1S/C6H13N/c1-2-6-4-3-5-7-6/h6-7H,2-5H2,1H3
• InChIKey: JFZLDRUSMYBXRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylpyrrolidine
• IUPAC Traditional name: 2-ethylpyrrolidine
• Synonyms: 2-ethylpyrrolidine

Database IDs

• CAS Number: 1003-28-7
• MDL Number: MFCD02663413
• PubChem SID: 164317615
• PubChem CID: 4993465

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0893373
• LogD (pH = 7.4): -2.039935
• Log P: 1.1520164
• Molar Refractivity: 31.1772 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.424

Product Information

• Purity: 95%; 98%