ethyl(pentan-2-yl)amine

• ChemBase ID: 307887
• Molecular Formular: C7H17N
• Molecular Mass: 115.21658
• Monoisotopic Mass: 115.13609955
• SMILES: N(C(CCC)C)CC
• Canonical SMILES: CCCC(NCC)C
• InChI: InChI=1S/C7H17N/c1-4-6-7(3)8-5-2/h7-8H,4-6H2,1-3H3
• InChIKey: MVAOLFCQWQECDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(pentan-2-yl)amine
• IUPAC Traditional name: ethyl(pentan-2-yl)amine
• Synonyms: N-ethylpentan-2-amine

Database IDs

• CAS Number: 39190-84-6
• MDL Number: MFCD08691709

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3329494
• LogD (pH = 7.4): -1.068556
• Log P: 1.9044036
• Molar Refractivity: 37.7344 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 12.03 Å^2