methyl(4-methylpentan-2-yl)amine

• ChemBase ID: 263983
• Molecular Formular: C7H17N
• Molecular Mass: 115.21658
• Monoisotopic Mass: 115.13609955
• SMILES: N(C(CC(C)C)C)C
• Canonical SMILES: CNC(CC(C)C)C
• InChI: InChI=1S/C7H17N/c1-6(2)5-7(3)8-4/h6-8H,5H2,1-4H3
• InChIKey: OJFLJUCXLKCIHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(4-methylpentan-2-yl)amine
• IUPAC Traditional name: methyl(4-methylpentan-2-yl)amine
• Synonyms: methyl(4-methylpentan-2-yl)amine; (1,3-dimethylbutyl)methylamine

Database IDs

• CAS Number: 3329-35-9
• MDL Number: MFCD09049472
• PubChem SID: 164319893
• PubChem CID: 16777019

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4016284
• LogD (pH = 7.4): -1.0928432
• Log P: 1.8346146
• Molar Refractivity: 37.5344 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.777

Product Information

• Purity: 95%