diethyl(pyrrolidin-3-ylmethyl)amine

• ChemBase ID: 284309
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1CC(CN(CC)CC)CC1
• Canonical SMILES: CCN(CC1CNCC1)CC
• InChI: InChI=1S/C9H20N2/c1-3-11(4-2)8-9-5-6-10-7-9/h9-10H,3-8H2,1-2H3
• InChIKey: HOIFYAYAOLSLBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl(pyrrolidin-3-ylmethyl)amine
• IUPAC Traditional name: diethyl(pyrrolidin-3-ylmethyl)amine
• Synonyms: diethyl(pyrrolidin-3-ylmethyl)amine

Database IDs

• MDL Number: MFCD09036030
• PubChem SID: 180669840
• PubChem CID: 14075474

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.582317
• LogD (pH = 7.4): -3.7791123
• Log P: 0.6051324
• Molar Refractivity: 49.7599 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.748

Product Information

• Purity: 95%