2-amino-3-methyl-N,N-dipropylbutanamide hydrochloride

• ChemBase ID: 48831
• Molecular Formular: C11H25ClN2O
• Molecular Mass: 236.782
• Monoisotopic Mass: 236.16554111
• SMILES: C(=O)(C(N)C(C)C)N(CCC)CCC.Cl
• Canonical SMILES: CCCN(C(=O)C(C(C)C)N)CCC.Cl
• InChI: InChI=1S/C11H24N2O.ClH/c1-5-7-13(8-6-2)11(14)10(12)9(3)4;/h9-10H,5-8,12H2,1-4H3;1H
• InChIKey: POIIROKGFICOPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-methyl-N,N-dipropylbutanamide hydrochloride
• IUPAC Traditional name: 2-amino-3-methyl-N,N-dipropylbutanamide hydrochloride
• Synonyms: 2-Amino-3-methyl-N,N-dipropylbutanamide hydrochloride

Database IDs

• MDL Number: MFCD13562080
• PubChem SID: 162053594
• PubChem CID: 56831851

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0114686
• LogD (pH = 7.4): 0.5731749
• Log P: 1.7078542
• Molar Refractivity: 59.6537 cm^3
• Polarizability: 23.726809 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false