ethyl(2-methylbutyl)amine

• ChemBase ID: 286251
• Molecular Formular: C7H17N
• Molecular Mass: 115.21658
• Monoisotopic Mass: 115.13609955
• SMILES: N(CC(CC)C)CC
• Canonical SMILES: CCNCC(CC)C
• InChI: InChI=1S/C7H17N/c1-4-7(3)6-8-5-2/h7-8H,4-6H2,1-3H3
• InChIKey: WCDOAVZNGVXEIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(2-methylbutyl)amine
• IUPAC Traditional name: ethyl(2-methylbutyl)amine
• Synonyms: ethyl(2-methylbutyl)amine

Database IDs

• MDL Number: MFCD11157091
• PubChem SID: 180671782
• PubChem CID: 14525025

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3849856
• LogD (pH = 7.4): -1.139296
• Log P: 1.8528013
• Molar Refractivity: 37.7872 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.997

Product Information

• Purity: 95%