(2-methylpropyl)(propan-2-yl)amine

• ChemBase ID: 33364
• Molecular Formular: C7H17N
• Molecular Mass: 115.21658
• Monoisotopic Mass: 115.13609955
• SMILES: N(CC(C)C)C(C)C
• Canonical SMILES: CC(NCC(C)C)C
• InChI: InChI=1S/C7H17N/c1-6(2)5-8-7(3)4/h6-8H,5H2,1-4H3
• InChIKey: PHQYHKHLCPPXKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylpropyl)(propan-2-yl)amine
• IUPAC Traditional name: isopropyl(2-methylpropyl)amine
• Synonyms: N-isopropyl-2-methyl-1-propanamine; (2-methylpropyl)(propan-2-yl)amine; N-Isobutyl-N-isopropylamine

Database IDs

• CAS Number: 39099-24-6
• MDL Number: MFCD00071496
• PubChem SID: 160996671
• PubChem CID: 12372890

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.413837
• LogD (pH = 7.4): -1.2077452
• Log P: 1.8248076
• Molar Refractivity: 37.605 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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%