ethyl(pentan-3-yl)amine

• ChemBase ID: 307899
• Molecular Formular: C7H17N
• Molecular Mass: 115.21658
• Monoisotopic Mass: 115.13609955
• SMILES: N(C(CC)CC)CC
• Canonical SMILES: CCNC(CC)CC
• InChI: InChI=1S/C7H17N/c1-4-7(5-2)8-6-3/h7-8H,4-6H2,1-3H3
• InChIKey: BWDGPBXONNMLIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(pentan-3-yl)amine
• IUPAC Traditional name: ethyl(pentan-3-yl)amine
• Synonyms: N-ethylpentan-3-amine

Database IDs

• CAS Number: 39190-77-7
• MDL Number: MFCD08691718

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2562928
• LogD (pH = 7.4): -1.050468
• Log P: 1.9823573
• Molar Refractivity: 37.6574 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 12.03 Å^2