ChemSpider 2D Image | (1r,3r,5r,7r)-2-(Cyclohexylamino)-2-adamantanecarbonitrile | C17H26N2

(1r,3r,5r,7r)-2-(Cyclohexylamino)-2-adamantanecarbonitrile

  • Molecular FormulaC17H26N2
  • Average mass258.402 Da
  • Monoisotopic mass258.209595 Da
  • ChemSpider ID110449847

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1r,3r,5r,7r)-2-(Cyclohexylamino)-2-adamantancarbonitril [German] [ACD/IUPAC Name]
(1r,3r,5r,7r)-2-(Cyclohexylamino)-2-adamantanecarbonitrile [ACD/IUPAC Name]
(1r,3r,5r,7r)-2-(Cyclohexylamino)-2-adamantanecarbonitrile [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-2-carbonitrile, 2-(cyclohexylamino)- [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: 408.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 200.7±24.0 °C
Index of Refraction: 1.551
Molar Refractivity: 76.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 236.25
ACD/KOC (pH 5.5): 1666.97
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 273.98
ACD/KOC (pH 7.4): 1933.20
Polar Surface Area: 36 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 238.4±5.0 cm3

Click to predict properties on the Chemicalize site


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