2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile

C27H35FN2 — CID 21181199

IUPAC2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile
SMILESCCN(CCc1ccccc1)C(C)CCC(C#N)(c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C27H35FN2/c1-3-30(20-18-23-9-5-4-6-10-23)22(2)17-19-27(21-29,24-11-7-8-12-24)25-13-15-26(28)16-14-25/h4-6,9-10,13-16,22,24H,3,7-8,11-12,17-20H2,1-2H3
InChIKeyDLRHBXBNBCQVSR-UHFFFAOYSA-N
MW406.59 g/mol
LogP6.51
Rot. Bonds10

About 2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile

2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile (PubChem CID 21181199) has the molecular formula C27H35FN2 and a molecular weight of 406.59 g/mol. Its IUPAC name is 2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile.

Molecular Properties

Compound Name2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile
PubChem CID21181199
Molecular FormulaC27H35FN2
Molecular Weight406.59 g/mol
Exact Mass406.28
IUPAC Name2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile
SMILESCCN(CCc1ccccc1)C(C)CCC(C#N)(c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C27H35FN2/c1-3-30(20-18-23-9-5-4-6-10-23)22(2)17-19-27(21-29,24-11-7-8-12-24)25-13-15-26(28)16-14-25/h4-6,9-10,13-16,22,24H,3,7-8,11-12,17-20H2,1-2H3
InChIKeyDLRHBXBNBCQVSR-UHFFFAOYSA-N
XLogP6.51
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.59
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)heptanenitrile
CID 21181150
2-(4-chlorophenyl)-2-cyclohexyl-5-[ethyl(2-phenylethyl)amino]hexanenitrile
CID 21181673
2-cyclopentyl-2-(2,6-difluorophenyl)-5-[ethyl(2-phenylethyl)amino]hexanenitrile
CID 21181813
2-cyclohexyl-5-[2-phenylethyl(propyl)amino]-2-[4-(trifluoromethyl)phenyl]hexanenitrile
CID 21181710
5-[benzyl(propyl)amino]-2-cyclobutyl-2-(4-fluorophenyl)hexanenitrile
CID 21181099
2-cyclohexyl-2-(4-fluorophenyl)-5-[2-phenylethyl(propan-2-yl)amino]pentanenitrile
CID 154428250
2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile
CID 21181788
2-cyclobutyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile
CID 21181827
2-cyclopropyl-2-(3,4-dichlorophenyl)-5-[ethyl(2-phenylethyl)amino]hexanenitrile
CID 21181146
2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]hexanenitrile
CID 21181718
2-cyclobutyl-2-(3,4-difluorophenyl)-5-[ethyl(2-phenylethyl)amino]heptanenitrile
CID 21181836
2-cyclobutyl-2-(2,6-difluorophenyl)-5-[2-phenylethyl(propyl)amino]hexanenitrile
CID 21181810

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile?
The IUPAC name of 2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile (CID 21181199) is 2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile.
What is the SMILES notation for 2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile?
The canonical SMILES for 2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile is CCN(CCc1ccccc1)C(C)CCC(C#N)(c1ccc(F)cc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile?
The InChIKey is DLRHBXBNBCQVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN2/c1-3-30(20-18-23-9-5-4-6-10-23)22(2)17-19-27(21-29,24-11-7-8-12-24)25-13-15-26(28)16-14-25/h4-6,9-10,13-16,22,24H,3,7-8,11-12,17-20H2,1-2H3.
What are the key properties of 2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile?
2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile has a molecular weight of 406.59 g/mol, XLogP of 6.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile is sourced from PubChem (CID 21181199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).