2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile

C28H37FN2 — CID 21181905

IUPAC2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile
SMILESCCCN(CCCC(C#N)(c1ccccc1F)C1CCCCC1)CCc1ccccc1
InChIInChI=1S/C28H37FN2/c1-2-20-31(22-18-24-12-5-3-6-13-24)21-11-19-28(23-30,25-14-7-4-8-15-25)26-16-9-10-17-27(26)29/h3,5-6,9-10,12-13,16-17,25H,2,4,7-8,11,14-15,18-22H2,1H3
InChIKeyNBQVIXQUFKHTGX-UHFFFAOYSA-N
MW420.62 g/mol
LogP6.90
Rot. Bonds11

About 2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile

2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile (PubChem CID 21181905) has the molecular formula C28H37FN2 and a molecular weight of 420.62 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile
PubChem CID21181905
Molecular FormulaC28H37FN2
Molecular Weight420.62 g/mol
Exact Mass420.29
IUPAC Name2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile
SMILESCCCN(CCCC(C#N)(c1ccccc1F)C1CCCCC1)CCc1ccccc1
InChIInChI=1S/C28H37FN2/c1-2-20-31(22-18-24-12-5-3-6-13-24)21-11-19-28(23-30,25-14-7-4-8-15-25)26-16-9-10-17-27(26)29/h3,5-6,9-10,12-13,16-17,25H,2,4,7-8,11,14-15,18-22H2,1H3
InChIKeyNBQVIXQUFKHTGX-UHFFFAOYSA-N
XLogP6.90
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
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-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile
CID 21181931
2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]hexanenitrile
CID 21181718
2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile
CID 21181308
2-cyclopentyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile
CID 21181502
5-[benzyl(propyl)amino]-2-cyclobutyl-2-(2,6-difluorophenyl)pentanenitrile
CID 21181394
2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclohexyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile
CID 21181963
2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile
CID 21181190
5-[benzyl(propyl)amino]-2-cyclobutyl-2-(3,4-difluorophenyl)pentanenitrile
CID 21181655
5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile
CID 21181279
2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile
CID 21181334
2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile
CID 23582575
2-cyclobutyl-5-[2-phenylethyl(propan-2-yl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile
CID 154428274

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile?
The IUPAC name of 2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile (CID 21181905) is 2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile.
What is the SMILES notation for 2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile?
The canonical SMILES for 2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile is CCCN(CCCC(C#N)(c1ccccc1F)C1CCCCC1)CCc1ccccc1.
What is the InChIKey of 2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile?
The InChIKey is NBQVIXQUFKHTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FN2/c1-2-20-31(22-18-24-12-5-3-6-13-24)21-11-19-28(23-30,25-14-7-4-8-15-25)26-16-9-10-17-27(26)29/h3,5-6,9-10,12-13,16-17,25H,2,4,7-8,11,14-15,18-22H2,1H3.
What are the key properties of 2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile?
2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile has a molecular weight of 420.62 g/mol, XLogP of 6.90, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile is sourced from PubChem (CID 21181905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).