Chemical Properties of 1-(N-Benzyl-N-3-methylbutanoyl)amino-6-(2-cyanoethyl)cyclohexene (CAS 85019-64-3)

1-(N-Benzyl-N-3-methylbutanoyl)amino-6-(2-cyanoethyl)cyclohexene

InChI
InChI=1S/C21H28N2O/c1-17(2)15-21(24)23(16-18-9-4-3-5-10-18)20-13-7-6-11-19(20)12-8-14-22/h3-5,9-10,13,17,19H,6-8,11-12,15-16H2,1-2H3
InChI Key
LTQZBXHZGZZBRE-UHFFFAOYSA-N
Formula
C21H28N2O
SMILES
CC(C)CC(=O)N(Cc1ccccc1)C1=CCCCC1CCC#N
Molecular Weight1
324.46
CAS
85019-64-3
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Physical Properties

Property Value Unit Source
ΔfusH° 39.46 kJ/mol Joback Calculated Property
logPoct/wat 5.049 Crippen Calculated Property
McVol 280.760 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [898.82; 977.80] J/mol×K [898.40; 1126.07] Show Hide
Cp,gas 898.82 J/mol×K 898.40 Joback Calculated Property
Cp,gas 914.89 J/mol×K 936.35 Joback Calculated Property
Cp,gas 929.68 J/mol×K 974.29 Joback Calculated Property
Cp,gas 943.27 J/mol×K 1012.24 Joback Calculated Property
Cp,gas 955.76 J/mol×K 1050.18 Joback Calculated Property
Cp,gas 967.24 J/mol×K 1088.13 Joback Calculated Property
Cp,gas 977.80 J/mol×K 1126.07 Joback Calculated Property

Similar Compounds

1-(N-Benzyl-N-butanoyl)amino-6-(2-cycnoethyl)cyclohexene. 1-(N-Benzyl-N-pentanoyl)amino-6-(2-cyanoethyl)cyclohexene. 1-(N-Benzyl-N-propionyl)amino-6-(2-cyanoethyl)cyclohexene. 1-(N-Benzyl-N-isobutyryl)amino-6-(2-cyanoethyl)cyclohexene. 1-(N-Benzyl-N-acetyl)amino-6-(2-cyanoethyl)cyclohexene. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-tertbutylsilyl. Mucronatinine. Thymidine, 3',5'-bis(O-TMTBSi). 3'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TMS. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl. Uridine, 2',5'-bis-O-TBDMS, 3'-O-TFA. Thymidine, 5'-O-cyclotetramethylene-isopropylsilyl. 5-Methyluridine, 2',3',5'-tris-O-TBDMS.

Find more compounds similar to 1-(N-Benzyl-N-3-methylbutanoyl)amino-6-(2-cyanoethyl)cyclohexene.

Sources

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