2-cyclohexyl-2-(4-fluorophenyl)-5-[2-phenylethyl(propan-2-yl)amino]pentanenitrile

C28H37FN2 — CID 154428250

IUPAC2-cyclohexyl-2-(4-fluorophenyl)-5-[2-phenylethyl(propan-2-yl)amino]pentanenitrile
SMILESCC(C)N(CCCC(C#N)(c1ccc(F)cc1)C1CCCCC1)CCc1ccccc1
InChIInChI=1S/C28H37FN2/c1-23(2)31(21-18-24-10-5-3-6-11-24)20-9-19-28(22-30,25-12-7-4-8-13-25)26-14-16-27(29)17-15-26/h3,5-6,10-11,14-17,23,25H,4,7-9,12-13,18-21H2,1-2H3
InChIKeyVHHQWHVVMICZDZ-UHFFFAOYSA-N
MW420.62 g/mol
LogP6.90
Rot. Bonds10

About 2-cyclohexyl-2-(4-fluorophenyl)-5-[2-phenylethyl(propan-2-yl)amino]pentanenitrile

2-cyclohexyl-2-(4-fluorophenyl)-5-[2-phenylethyl(propan-2-yl)amino]pentanenitrile (PubChem CID 154428250) has the molecular formula C28H37FN2 and a molecular weight of 420.62 g/mol. Its IUPAC name is 2-cyclohexyl-2-(4-fluorophenyl)-5-[2-phenylethyl(propan-2-yl)amino]pentanenitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-(4-fluorophenyl)-5-[2-phenylethyl(propan-2-yl)amino]pentanenitrile
PubChem CID154428250
Molecular FormulaC28H37FN2
Molecular Weight420.62 g/mol
Exact Mass420.29
IUPAC Name2-cyclohexyl-2-(4-fluorophenyl)-5-[2-phenylethyl(propan-2-yl)amino]pentanenitrile
SMILESCC(C)N(CCCC(C#N)(c1ccc(F)cc1)C1CCCCC1)CCc1ccccc1
InChIInChI=1S/C28H37FN2/c1-23(2)31(21-18-24-10-5-3-6-11-24)20-9-19-28(22-30,25-12-7-4-8-13-25)26-14-16-27(29)17-15-26/h3,5-6,10-11,14-17,23,25H,4,7-9,12-13,18-21H2,1-2H3
InChIKeyVHHQWHVVMICZDZ-UHFFFAOYSA-N
XLogP6.90
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.62
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-5-[2-phenylethyl(propan-2-yl)amino]-2-[4-(trifluoromethyl)phenyl]pentanenitrile
CID 154428253
2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile
CID 21181199
2-cyclobutyl-5-[2-phenylethyl(propan-2-yl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile
CID 154428274
2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)heptanenitrile
CID 21181150
2-cyclobutyl-5-(dibenzylamino)-2-(4-fluorophenyl)pentanenitrile
CID 21180988
2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile
CID 23582575
2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile
CID 21181788
2-cyclohexyl-5-[2-phenylethyl(propyl)amino]-2-[4-(trifluoromethyl)phenyl]hexanenitrile
CID 21181710
2-(4-chlorophenyl)-2-cyclohexyl-5-[ethyl(2-phenylethyl)amino]hexanenitrile
CID 21181673
2-cyclobutyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile
CID 21181827
5-[benzyl(propyl)amino]-2-cyclobutyl-2-(4-fluorophenyl)hexanenitrile
CID 21181099
5-[benzyl(propan-2-yl)amino]-2-cyclobutyl-2-[2-(trifluoromethyl)phenyl]pentanenitrile
CID 154428269

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(4-fluorophenyl)-5-[2-phenylethyl(propan-2-yl)amino]pentanenitrile?
The IUPAC name of 2-cyclohexyl-2-(4-fluorophenyl)-5-[2-phenylethyl(propan-2-yl)amino]pentanenitrile (CID 154428250) is 2-cyclohexyl-2-(4-fluorophenyl)-5-[2-phenylethyl(propan-2-yl)amino]pentanenitrile.
What is the SMILES notation for 2-cyclohexyl-2-(4-fluorophenyl)-5-[2-phenylethyl(propan-2-yl)amino]pentanenitrile?
The canonical SMILES for 2-cyclohexyl-2-(4-fluorophenyl)-5-[2-phenylethyl(propan-2-yl)amino]pentanenitrile is CC(C)N(CCCC(C#N)(c1ccc(F)cc1)C1CCCCC1)CCc1ccccc1.
What is the InChIKey of 2-cyclohexyl-2-(4-fluorophenyl)-5-[2-phenylethyl(propan-2-yl)amino]pentanenitrile?
The InChIKey is VHHQWHVVMICZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FN2/c1-23(2)31(21-18-24-10-5-3-6-11-24)20-9-19-28(22-30,25-12-7-4-8-13-25)26-14-16-27(29)17-15-26/h3,5-6,10-11,14-17,23,25H,4,7-9,12-13,18-21H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-(4-fluorophenyl)-5-[2-phenylethyl(propan-2-yl)amino]pentanenitrile?
2-cyclohexyl-2-(4-fluorophenyl)-5-[2-phenylethyl(propan-2-yl)amino]pentanenitrile has a molecular weight of 420.62 g/mol, XLogP of 6.90, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(4-fluorophenyl)-5-[2-phenylethyl(propan-2-yl)amino]pentanenitrile is sourced from PubChem (CID 154428250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).