2-amino-2-methyl-N,N-bis(prop-2-en-1-yl)propanamide hydrochloride

• ChemBase ID: 48851
• Molecular Formular: C10H19ClN2O
• Molecular Mass: 218.72366
• Monoisotopic Mass: 218.11859092
• SMILES: C(=O)(C(N)(C)C)N(CC=C)CC=C.Cl
• Canonical SMILES: C=CCN(C(=O)C(N)(C)C)CC=C.Cl
• InChI: InChI=1S/C10H18N2O.ClH/c1-5-7-12(8-6-2)9(13)10(3,4)11;/h5-6H,1-2,7-8,11H2,3-4H3;1H
• InChIKey: JSZAIEZEJWKRIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-methyl-N,N-bis(prop-2-en-1-yl)propanamide hydrochloride
• IUPAC Traditional name: 2-amino-2-methyl-N,N-bis(prop-2-en-1-yl)propanamide hydrochloride
• Synonyms: N,N-Diallyl-2-amino-2-methylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13562100
• PubChem SID: 162053614
• PubChem CID: 56831861

CALCULATED PROPERTIES

• Molar Refractivity: 55.1516 cm^3
• Polarizability: 21.405428 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8232763
• LogD (pH = 7.4): -0.29548436
• Log P: 0.9569637

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false