(1-amino-3-methylbutan-2-yl)bis(prop-2-en-1-yl)amine

• ChemBase ID: 254620
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N(C(C(C)C)CN)(CC=C)CC=C
• Canonical SMILES: NCC(N(CC=C)CC=C)C(C)C
• InChI: InChI=1S/C11H22N2/c1-5-7-13(8-6-2)11(9-12)10(3)4/h5-6,10-11H,1-2,7-9,12H2,3-4H3
• InChIKey: JIJJWYKEHYXNIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-amino-3-methylbutan-2-yl)bis(prop-2-en-1-yl)amine
• IUPAC Traditional name: (1-amino-3-methylbutan-2-yl)bis(prop-2-en-1-yl)amine
• Synonyms: N,N-diallyl-N-[1-(aminomethyl)-2-methylpropyl]amine

Database IDs

• MDL Number: MFCD09863329
• PubChem SID: 164310530
• PubChem CID: 43810483

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4172206
• LogD (pH = 7.4): -0.1379756
• Log P: 2.1597555
• Molar Refractivity: 59.6777 cm^3
• Polarizability: 23.631542 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.462

Product Information

• Purity: 95%