(2,2-dimethylpropyl)(ethyl)amine

• ChemBase ID: 307556
• Molecular Formular: C7H17N
• Molecular Mass: 115.21658
• Monoisotopic Mass: 115.13609955
• SMILES: C(CNCC)(C)(C)C
• Canonical SMILES: CCNCC(C)(C)C
• InChI: InChI=1S/C7H17N/c1-5-8-6-7(2,3)4/h8H,5-6H2,1-4H3
• InChIKey: WHXPIXBWEZSBJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 17839-28-0
• MDL Number: MFCD11053898

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4503555
• LogD (pH = 7.4): -1.1549151
• Log P: 1.7862335
• Molar Refractivity: 37.5843 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 12.03 Å^2