(3,3-dimethylbutan-2-yl)(methyl)amine

• ChemBase ID: 264035
• Molecular Formular: C7H17N
• Molecular Mass: 115.21658
• Monoisotopic Mass: 115.13609955
• SMILES: C(C(NC)C)(C)(C)C
• Canonical SMILES: CNC(C(C)(C)C)C
• InChI: InChI=1S/C7H17N/c1-6(8-5)7(2,3)4/h6,8H,1-5H3
• InChIKey: WVNLIXPHUXNITQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,3-dimethylbutan-2-yl)(methyl)amine
• IUPAC Traditional name: (3,3-dimethylbutan-2-yl)(methyl)amine
• Synonyms: (3,3-dimethylbutan-2-yl)(methyl)amine; N,3,3-trimethyl-2-butanamine

Database IDs

• CAS Number: 84285-38-1
• MDL Number: MFCD09042718
• PubChem SID: 164319945
• PubChem CID: 15741636

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3906615
• LogD (pH = 7.4): -1.0980924
• Log P: 1.8460006
• Molar Refractivity: 37.2545 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.647

Product Information

• Purity: 95%