diethyl(pyrrolidin-2-ylmethyl)amine

• ChemBase ID: 307346
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1C(CN(CC)CC)CCC1
• Canonical SMILES: CCN(CC1CCCN1)CC
• InChI: InChI=1S/C9H20N2/c1-3-11(4-2)8-9-6-5-7-10-9/h9-10H,3-8H2,1-2H3
• InChIKey: SWMHMAUXZINLIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl(pyrrolidin-2-ylmethyl)amine
• IUPAC Traditional name: diethyl(pyrrolidin-2-ylmethyl)amine
• Synonyms: N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine

Database IDs

• CAS Number: 121053-95-0
• MDL Number: MFCD06653367

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8175693
• LogD (pH = 7.4): -2.0788047
• Log P: 1.0049465
• Molar Refractivity: 49.4209 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2