1-ethylpyrrolidin-3-amine

• ChemBase ID: 308958
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: N1(CC(CC1)N)CC
• Canonical SMILES: CCN1CCC(C1)N
• InChI: InChI=1S/C6H14N2/c1-2-8-4-3-6(7)5-8/h6H,2-5,7H2,1H3
• InChIKey: GOLVGZOPWLLUSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethylpyrrolidin-3-amine
• IUPAC Traditional name: 1-ethylpyrrolidin-3-amine
• Synonyms: 1-ethyl-3-pyrrolidinamine

Database IDs

• CAS Number: 7791-89-1
• MDL Number: MFCD11640855

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.210138
• LogD (pH = 7.4): -3.016009
• Log P: -0.3018045
• Molar Refractivity: 35.2531 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 29.26 Å^2