(2,2-dimethylpropyl)(2-methylpropyl)amine

• ChemBase ID: 238890
• Molecular Formular: C9H21N
• Molecular Mass: 143.26974
• Monoisotopic Mass: 143.16739968
• SMILES: N(CC(C)(C)C)CC(C)C
• Canonical SMILES: CC(CNCC(C)(C)C)C
• InChI: InChI=1S/C9H21N/c1-8(2)6-10-7-9(3,4)5/h8,10H,6-7H2,1-5H3
• InChIKey: QSJJIBZBFOFKES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethylpropyl)(2-methylpropyl)amine
• IUPAC Traditional name: (2,2-dimethylpropyl)(2-methylpropyl)amine
• Synonyms: (2,2-dimethylpropyl)(2-methylpropyl)amine

Database IDs

• MDL Number: MFCD12815873
• PubChem SID: 164294800
• PubChem CID: 21481394

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.56545407
• LogD (pH = 7.4): -0.38623565
• Log P: 2.6737287
• Molar Refractivity: 46.5799 cm^3
• Polarizability: 18.883202 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.795

Product Information

• Purity: 95%