ethyl(3-methylbutan-2-yl)amine

• ChemBase ID: 265154
• Molecular Formular: C7H17N
• Molecular Mass: 115.21658
• Monoisotopic Mass: 115.13609955
• SMILES: N(C(C(C)C)C)CC
• Canonical SMILES: CCNC(C(C)C)C
• InChI: InChI=1S/C7H17N/c1-5-8-7(4)6(2)3/h6-8H,5H2,1-4H3
• InChIKey: FQBQBRBAJDVVOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(3-methylbutan-2-yl)amine
• IUPAC Traditional name: ethyl(3-methylbutan-2-yl)amine
• Synonyms: ethyl(3-methylbutan-2-yl)amine

Database IDs

• MDL Number: MFCD00082158
• PubChem SID: 164321064
• PubChem CID: 102873

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4138448
• LogD (pH = 7.4): -1.2081375
• 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

Product Information

• Purity: 95%