6-amino-4-methylhexanamide

• ChemBase ID: 276915
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: C(=O)(N)CCC(CCN)C
• Canonical SMILES: NCCC(CCC(=O)N)C
• InChI: InChI=1S/C7H16N2O/c1-6(4-5-8)2-3-7(9)10/h6H,2-5,8H2,1H3,(H2,9,10)
• InChIKey: SDATWFWUJDZVAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19382340
• PubChem SID: 164332825
• PubChem CID: 54594425

CALCULATED PROPERTIES

• Acid pKa: 17.038458
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2764113
• LogD (pH = 7.4): -2.851842
• Log P: -0.2525878
• Molar Refractivity: 41.0306 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.486

Product Information

• Purity: 95%