3-ethyl-3-methylpyrrolidine

• ChemBase ID: 237164
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: N1CC(CC)(CC1)C
• Canonical SMILES: CCC1(C)CNCC1
• InChI: InChI=1S/C7H15N/c1-3-7(2)4-5-8-6-7/h8H,3-6H2,1-2H3
• InChIKey: DWEXCXIEVRCDTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-3-methylpyrrolidine
• IUPAC Traditional name: 3-ethyl-3-methylpyrrolidine
• Synonyms: 3-ethyl-3-methylpyrrolidine

Database IDs

• MDL Number: MFCD16737766
• PubChem SID: 164293074
• PubChem CID: 12691880

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8403571
• LogD (pH = 7.4): -1.7550828
• Log P: 1.4004613
• Molar Refractivity: 35.7051 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%