ChemSpider 2D Image | 1-(1-Cyclopentyl-4-piperidinyl)-N-{[2-(2-methylphenyl)-5-pyrimidinyl]methyl}-N-(tetrahydro-2-furanylmethyl)methanamine | C28H40N4O

1-(1-Cyclopentyl-4-piperidinyl)-N-{[2-(2-methylphenyl)-5-pyrimidinyl]methyl}-N-(tetrahydro-2-furanylmethyl)methanamine

  • Molecular FormulaC28H40N4O
  • Average mass448.643 Da
  • Monoisotopic mass448.320221 Da
  • ChemSpider ID23060610

More details:

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

1-(1-Cyclopentyl-4-piperidinyl)-N-{[2-(2-methylphenyl)-5-pyrimidinyl]methyl}-N-(tetrahydro-2-furanylmethyl)methanamin [German] [ACD/IUPAC Name]
1-(1-Cyclopentyl-4-piperidinyl)-N-{[2-(2-methylphenyl)-5-pyrimidinyl]methyl}-N-(tetrahydro-2-furanylmethyl)methanamine [ACD/IUPAC Name]
1-(1-Cyclopentyl-4-pipéridinyl)-N-{[2-(2-méthylphényl)-5-pyrimidinyl]méthyl}-N-(tétrahydro-2-furanylméthyl)méthanamine [French] [ACD/IUPAC Name]
5-Pyrimidinemethanamine, N-[(1-cyclopentyl-4-piperidinyl)methyl]-2-(2-methylphenyl)-N-[(tetrahydro-2-furanyl)methyl]- [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: 529.4±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 274.0±29.6 °C
Index of Refraction: 1.572
Molar Refractivity: 133.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.39
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 9.73
ACD/KOC (pH 7.4): 39.38
Polar Surface Area: 41 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 405.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement