(2,2-dimethylpropyl)(methyl)amine

• ChemBase ID: 264975
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: C(CNC)(C)(C)C
• Canonical SMILES: CNCC(C)(C)C
• InChI: InChI=1S/C6H15N/c1-6(2,3)5-7-4/h7H,5H2,1-4H3
• InChIKey: UQGXHNDRCRTZAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethylpropyl)(methyl)amine
• IUPAC Traditional name: (2,2-dimethylpropyl)(methyl)amine
• Synonyms: (2,2-dimethylpropyl)(methyl)amine; (2,2-dimethylpropyl)methylamine

Database IDs

• CAS Number: 26153-91-3
• MDL Number: MFCD00048257
• PubChem SID: 164320885
• PubChem CID: 12910381

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8060484
• LogD (pH = 7.4): -1.469029
• Log P: 1.4294256
• Molar Refractivity: 32.8357 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.338

Product Information

• Purity: 95%