diethyl(prop-2-en-1-yl)amine

• ChemBase ID: 107209
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: CCN(CC)CC=C
• Canonical SMILES: CCN(CC=C)CC
• InChI: InChI=1S/C7H15N/c1-4-7-8(5-2)6-3/h4H,1,5-7H2,2-3H3
• InChIKey: JWAJUTZQGZBKFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl(prop-2-en-1-yl)amine
• IUPAC Traditional name: diethyl(prop-2-en-1-yl)amine
• Synonyms: ALLYLDIETHYLAMINE

Database IDs

• CAS Number: 5666-17-1
• PubChem SID: 162093171
• PubChem CID: 79748

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.7560133
• LogD (pH = 7.4): -0.48951542
• Log P: 1.6350352
• Molar Refractivity: 38.648 cm^3
• Polarizability: 14.95949 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05202933

MP Biomedicals Rare Chemical collection