2-(1-ethylpyrrolidin-3-yl)ethan-1-amine

• ChemBase ID: 50467
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CC(CC1)CCN)CC
• Canonical SMILES: NCCC1CCN(C1)CC
• InChI: InChI=1S/C8H18N2/c1-2-10-6-4-8(7-10)3-5-9/h8H,2-7,9H2,1H3
• InChIKey: VIMROESUSPPGCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-ethylpyrrolidin-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(1-ethylpyrrolidin-3-yl)ethanamine
• Synonyms: 2-(1-Ethyl-3-pyrrolidinyl)ethylamine

Database IDs

• MDL Number: MFCD09035754
• PubChem SID: 162055230
• PubChem CID: 23009229

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.283187
• LogD (pH = 7.4): -5.152951
• Log P: 0.21875596
• Molar Refractivity: 44.9365 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false