2-amino-2-methyl-N,N-dipropylpropanamide hydrochloride

• ChemBase ID: 48860
• Molecular Formular: C10H23ClN2O
• Molecular Mass: 222.75542
• Monoisotopic Mass: 222.14989105
• SMILES: C(=O)(C(N)(C)C)N(CCC)CCC.Cl
• Canonical SMILES: CCCN(C(=O)C(N)(C)C)CCC.Cl
• InChI: InChI=1S/C10H22N2O.ClH/c1-5-7-12(8-6-2)9(13)10(3,4)11;/h5-8,11H2,1-4H3;1H
• InChIKey: CLQRYNQIEXAFJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562109
• PubChem SID: 162053623
• PubChem CID: 56831866

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5274239
• LogD (pH = 7.4): 2.6056607E-5
• Log P: 1.2531248
• Molar Refractivity: 55.3714 cm^3
• Polarizability: 21.883293 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false