ethyl({2-[ethyl(methyl)amino]ethyl})methylamine

• ChemBase ID: 109979
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: CCN(C)CCN(C)CC
• Canonical SMILES: CCN(CCN(CC)C)C
• InChI: InChI=1S/C8H20N2/c1-5-9(3)7-8-10(4)6-2/h5-8H2,1-4H3
• InChIKey: BWTBHGDNJBIYAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl({2-[ethyl(methyl)amino]ethyl})methylamine
• IUPAC Traditional name: ethyl({2-[ethyl(methyl)amino]ethyl})methylamine
• Synonyms: N,N'-DIMETHYL-N,N'-DIETHYLETHYLENEDIAMINE

Database IDs

• PubChem SID: 162106365
• PubChem CID: 66942

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.859983
• LogD (pH = 7.4): -1.3495452
• Log P: 0.9224299
• Molar Refractivity: 47.5044 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05213271

MP Biomedicals Rare Chemical collection