ChemSpider 2D Image | 1-Ethyl-4-[(5-isobutyl-1,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)methyl]-1H-pyrrole-2-carbonitrile | C22H32N6

1-Ethyl-4-[(5-isobutyl-1,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)methyl]-1H-pyrrole-2-carbonitrile

  • Molecular FormulaC22H32N6
  • Average mass380.530 Da
  • Monoisotopic mass380.268860 Da
  • ChemSpider ID29540178

More details:

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

1-Ethyl-4-[(5-isobutyl-1,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)methyl]-1H-pyrrole-2-carbonitrile [ACD/IUPAC Name]
1H-Pyrrole-2-carbonitrile, 1-ethyl-4-[[1,5,6,7-tetrahydro-5-(2-methylpropyl)spiro[4H-imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl]methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 582.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 306.0±30.1 °C
Index of Refraction: 1.644
Molar Refractivity: 113.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.01
Polar Surface Area: 64 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 313.9±7.0 cm3

Click to predict properties on the Chemicalize site


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