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

• ChemBase ID: 796355
• Molecular Formular: C8H15N
• Molecular Mass: 125.2114
• Monoisotopic Mass: 125.12044949
• SMILES: N(CC(=C)C)CC(=C)C
• Canonical SMILES: CC(=C)CNCC(=C)C
• InChI: InChI=1S/C8H15N/c1-7(2)5-9-6-8(3)4/h9H,1,3,5-6H2,2,4H3
• InChIKey: LDCWGVLBCJEQMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-methylprop-2-en-1-yl)amine
• IUPAC Traditional name: bis(2-methylprop-2-en-1-yl)amine
• Synonyms: Bis(2-Methylallyl)aMine

Database IDs

• CAS Number: 35000-15-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3961
• LogD (pH = 7.4): -0.20668462
• Log P: 1.7563437
• Molar Refractivity: 41.5828 cm^3
• Polarizability: 16.578463 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%