ChemSpider 2D Image | 1-(4-Isobutylbenzyl)-N-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}-3-piperidinamine | C25H33N5

1-(4-Isobutylbenzyl)-N-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}-3-piperidinamine

  • Molecular FormulaC25H33N5
  • Average mass403.563 Da
  • Monoisotopic mass403.273590 Da
  • ChemSpider ID22249260

More details:

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

1-(4-Isobutylbenzyl)-N-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}-3-piperidinamin [German] [ACD/IUPAC Name]
1-(4-Isobutylbenzyl)-N-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}-3-piperidinamine [ACD/IUPAC Name]
1-(4-Isobutylbenzyl)-N-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]méthyl}-3-pipéridinamine [French] [ACD/IUPAC Name]
3-Piperidinamine, 1-[[4-(2-methylpropyl)phenyl]methyl]-N-[[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl]- [ACD/Index Name]
1-{[4-(2-METHYLPROPYL)PHENYL]METHYL}-N-{[1-(PYRIMIDIN-2-YL)-1H-PYRROL-2-YL]METHYL}PIPERIDIN-3-AMINE
1-{[4-(2-METHYLPROPYL)PHENYL]METHYL}-N-{[1-(PYRIMIDIN-2-YL)PYRROL-2-YL]METHYL}PIPERIDIN-3-AMINE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 575.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 301.6±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 124.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 2.27
ACD/KOC (pH 7.4): 11.77
Polar Surface Area: 46 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 354.7±7.0 cm3

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