methyl(2-methylprop-2-en-1-yl)amine

• ChemBase ID: 107938
• Molecular Formular: C5H11N
• Molecular Mass: 85.14754
• Monoisotopic Mass: 85.08914936
• SMILES: CNCC(=C)C
• Canonical SMILES: CNCC(=C)C
• InChI: InChI=1S/C5H11N/c1-5(2)4-6-3/h6H,1,4H2,2-3H3
• InChIKey: NOBVTKCADZWKHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(2-methylprop-2-en-1-yl)amine
• IUPAC Traditional name: methyl(2-methylprop-2-en-1-yl)amine
• Synonyms: methyl(2-methylprop-2-en-1-yl)amine; METHYLMETHALLYLAMINE

Database IDs

• MDL Number: MFCD00048127
• PubChem SID: 162105743
• PubChem CID: 3478594

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4297414
• LogD (pH = 7.4): -1.6297369
• Log P: 0.7817326
• Molar Refractivity: 28.1381 cm^3
• Polarizability: 11.2655945 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.655

Product Information

• Purity: 95%