ChemSpider 2D Image | (1S,3aR,6S)-N-(3-Aminopropyl)-1,3a,6-trimethyl-8-oxo-1,3a,4,5,5a,6,7,8-octahydrocyclopenta[c]pentalene-2-carboxamide | C18H28N2O2

(1S,3aR,6S)-N-(3-Aminopropyl)-1,3a,6-trimethyl-8-oxo-1,3a,4,5,5a,6,7,8-octahydrocyclopenta[c]pentalene-2-carboxamide

  • Molecular FormulaC18H28N2O2
  • Average mass304.427 Da
  • Monoisotopic mass304.215088 Da
  • ChemSpider ID44210750

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(1S,3aR,6S)-N-(3-Aminopropyl)-1,3a,6-trimethyl-8-oxo-1,3a,4,5,5a,6,7,8-octahydrocyclopenta[c]pentalen-2-carboxamid [German] [ACD/IUPAC Name]
(1S,3aR,6S)-N-(3-Aminopropyl)-1,3a,6-trimethyl-8-oxo-1,3a,4,5,5a,6,7,8-octahydrocyclopenta[c]pentalene-2-carboxamide [ACD/IUPAC Name]
(1S,3aR,6S)-N-(3-Aminopropyl)-1,3a,6-triméthyl-8-oxo-1,3a,4,5,5a,6,7,8-octahydrocyclopenta[c]pentalène-2-carboxamide [French] [ACD/IUPAC Name]
Cyclopenta[c]pentalene-2-carboxamide, N-(3-aminopropyl)-1,3a,4,5,5a,6,7,8-octahydro-1,3a,6-trimethyl-8-oxo-, (1S,3aR,6S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 509.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.2±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 86.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -1.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 72 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 269.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement