ethyl[2-(methylamino)ethyl]amine

• ChemBase ID: 107176
• Molecular Formular: C5H14N2
• Molecular Mass: 102.17806
• Monoisotopic Mass: 102.11569846
• SMILES: CCNCCNC
• Canonical SMILES: CNCCNCC
• InChI: InChI=1S/C5H14N2/c1-3-7-5-4-6-2/h6-7H,3-5H2,1-2H3
• InChIKey: MXJYVLYENVWKQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[2-(methylamino)ethyl]amine
• IUPAC Traditional name: ethyl[2-(methylamino)ethyl]amine
• Synonyms: N-ETHYL-N'-METHYLETHYLENEDIAMINE

Database IDs

• CAS Number: 22509-07-5
• PubChem SID: 162093772
• PubChem CID: 67104

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.867327
• LogD (pH = 7.4): -2.7530687
• Log P: -0.20047393
• Molar Refractivity: 32.166397 cm^3
• Polarizability: 13.012255 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true