ChemSpider 2D Image | (1R,2R,4R)-N-{[1-(2,3-Dihydro-1H-inden-2-yl)-4-piperidinyl]methyl}-N-[3-(dimethylamino)propyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide | C28H41N3O

(1R,2R,4R)-N-{[1-(2,3-Dihydro-1H-inden-2-yl)-4-piperidinyl]methyl}-N-[3-(dimethylamino)propyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

  • Molecular FormulaC28H41N3O
  • Average mass435.645 Da
  • Monoisotopic mass435.324951 Da
  • ChemSpider ID22867209

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,2R,4R)-N-{[1-(2,3-Dihydro-1H-inden-2-yl)-4-piperidinyl]methyl}-N-[3-(dimethylamino)propyl]bicyclo[2.2.1]hept-5-en-2-carboxamid [German] [ACD/IUPAC Name]
(1R,2R,4R)-N-{[1-(2,3-Dihydro-1H-inden-2-yl)-4-piperidinyl]methyl}-N-[3-(dimethylamino)propyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide [ACD/IUPAC Name]
(1R,2R,4R)-N-{[1-(2,3-Dihydro-1H-indén-2-yl)-4-pipéridinyl]méthyl}-N-[3-(diméthylamino)propyl]bicyclo[2.2.1]hept-5-ène-2-carboxamide [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-5-ene-2-carboxamide, N-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidinyl]methyl]-N-[3-(dimethylamino)propyl]-, (1R,2R,4R)- [ACD/Index Name]
(1R*,2R*,4R*)-N-{[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidinyl]methyl}-N-[3-(dimethylamino)propyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 574.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 226.1±22.5 °C
Index of Refraction: 1.581
Molar Refractivity: 130.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.20
Polar Surface Area: 27 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 392.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement