[(1-ethylpyrrolidin-3-yl)methyl](methyl)amine

• ChemBase ID: 58147
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: C1C(CCN1CC)CNC
• Canonical SMILES: CNCC1CCN(C1)CC
• InChI: InChI=1S/C8H18N2/c1-3-10-5-4-8(7-10)6-9-2/h8-9H,3-7H2,1-2H3
• InChIKey: SYDGCOCEWURBCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethylpyrrolidin-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(1-ethylpyrrolidin-3-yl)methyl](methyl)amine
• Synonyms: [(1-Ethylpyrrolidin-3-yl)methyl]methylamine; 1-(1-ethylpyrrolidin-3-yl)-N-methylmethanamine

Database IDs

• CAS Number: 884504-74-9
• MDL Number: MFCD05864495
• PubChem SID: 162062910
• PubChem CID: 17998752

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.873935
• LogD (pH = 7.4): -3.854477
• Log P: 0.24832442
• Molar Refractivity: 45.0113 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false