ChemSpider 2D Image | 1-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-{[3-(2-methyl-2-propanyl)-1H-pyrazol-4-yl]methyl}-3-piperidinamine | C18H30N6O

1-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-{[3-(2-methyl-2-propanyl)-1H-pyrazol-4-yl]methyl}-3-piperidinamine

  • Molecular FormulaC18H30N6O
  • Average mass346.470 Da
  • Monoisotopic mass346.248108 Da
  • ChemSpider ID30357702

More details:

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

1-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-{[3-(2-methyl-2-propanyl)-1H-pyrazol-4-yl]methyl}-3-piperidinamin [German] [ACD/IUPAC Name]
1-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-{[3-(2-methyl-2-propanyl)-1H-pyrazol-4-yl]methyl}-3-piperidinamine [ACD/IUPAC Name]
1-[(5-Éthyl-1,2,4-oxadiazol-3-yl)méthyl]-N-{[3-(2-méthyl-2-propanyl)-1H-pyrazol-4-yl]méthyl}-3-pipéridinamine [French] [ACD/IUPAC Name]
3-Piperidinamine, N-[[3-(1,1-dimethylethyl)-1H-pyrazol-4-yl]methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-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: 515.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.4±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 96.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 2.96
ACD/KOC (pH 7.4): 34.62
Polar Surface Area: 83 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 298.5±5.0 cm3

Click to predict properties on the Chemicalize site


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