6-amino-4-ethylhexanamide

• ChemBase ID: 276913
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: C(=O)(N)CCC(CCN)CC
• Canonical SMILES: NCCC(CCC(=O)N)CC
• InChI: InChI=1S/C8H18N2O/c1-2-7(5-6-9)3-4-8(10)11/h7H,2-6,9H2,1H3,(H2,10,11)
• InChIKey: KWWKPTHAQODGSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-4-ethylhexanamide
• IUPAC Traditional name: 6-amino-4-ethylhexanamide
• Synonyms: 6-amino-4-ethylhexanamide

Database IDs

• MDL Number: MFCD19382338
• PubChem SID: 164332823
• PubChem CID: 54594423

CALCULATED PROPERTIES

• Acid pKa: 17.072886
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8318362
• LogD (pH = 7.4): -2.4070845
• Log P: 0.19198087
• Molar Refractivity: 45.6316 cm^3
• Polarizability: 18.198185 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.043

Product Information

• Purity: 95%