1-ethyl-2-(pyrrolidin-2-yl)pyrrolidine

• ChemBase ID: 271413
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: N1(C(C2NCCC2)CCC1)CC
• Canonical SMILES: CCN1CCCC1C1CCCN1
• InChI: InChI=1S/C10H20N2/c1-2-12-8-4-6-10(12)9-5-3-7-11-9/h9-11H,2-8H2,1H3
• InChIKey: OVYCGVYGAZPFRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-2-(pyrrolidin-2-yl)pyrrolidine
• IUPAC Traditional name: 1-ethyl-2-(pyrrolidin-2-yl)pyrrolidine
• Synonyms: 1-ethyl-2-(pyrrolidin-2-yl)pyrrolidine

Database IDs

• MDL Number: MFCD16747479
• PubChem SID: 164327323
• PubChem CID: 54592637

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.4206944
• LogD (pH = 7.4): -2.5609345
• Log P: 1.1137031
• Molar Refractivity: 51.8835 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.323

Product Information

• Purity: 95%