ethyl(2-ethylbutyl)amine

• ChemBase ID: 257728
• Molecular Formular: C8H19N
• Molecular Mass: 129.24316
• Monoisotopic Mass: 129.15174961
• SMILES: N(CC(CC)CC)CC
• Canonical SMILES: CCNCC(CC)CC
• InChI: InChI=1S/C8H19N/c1-4-8(5-2)7-9-6-3/h8-9H,4-7H2,1-3H3
• InChIKey: NXFDPMAUXFRFLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(2-ethylbutyl)amine
• IUPAC Traditional name: ethyl(2-ethylbutyl)amine
• Synonyms: N,2-diethylbutan-1-amine

Database IDs

• MDL Number: MFCD09943236
• PubChem SID: 164313638
• PubChem CID: 24703963

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.940418
• LogD (pH = 7.4): -0.69478047
• Log P: 2.29737
• Molar Refractivity: 42.3882 cm^3
• Polarizability: 17.036163 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.526

Product Information

• Purity: 95%