ChemSpider 2D Image | (3R)-3-Cyclohexyl-N-{N-[3-(1H-imidazol-4-yl)propyl]carbamimidoyl}butanamide | C17H29N5O

(3R)-3-Cyclohexyl-N-{N-[3-(1H-imidazol-4-yl)propyl]carbamimidoyl}butanamide

  • Molecular FormulaC17H29N5O
  • Average mass319.445 Da
  • Monoisotopic mass319.237213 Da
  • ChemSpider ID24672196
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-3-Cyclohexyl-N-{N-[3-(1H-imidazol-4-yl)propyl]carbamimidoyl}butanamid [German] [ACD/IUPAC Name]
(3R)-3-Cyclohexyl-N-{N-[3-(1H-imidazol-4-yl)propyl]carbamimidoyl}butanamide [ACD/IUPAC Name]
(3R)-3-Cyclohexyl-N-{N-[3-(1H-imidazol-4-yl)propyl]carbamimidoyl}butanamide [French] [ACD/IUPAC Name]
Cyclohexanepropanamide, N-[[[3-(1H-imidazol-4-yl)propyl]amino]iminomethyl]-β-methyl-, (βR)- [ACD/Index Name]
10.1016/j.bmcl.2010.03.082

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 90.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.74
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 16.40
ACD/KOC (pH 7.4): 174.36
Polar Surface Area: 94 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 261.3±7.0 cm3

Click to predict properties on the Chemicalize site






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