5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile

C26H28F6N2 — CID 21181444

IUPAC5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile
SMILESCN(CCCC(C#N)(c1c(C(F)(F)F)cccc1C(F)(F)F)C1CCCC1)Cc1ccccc1
InChIInChI=1S/C26H28F6N2/c1-34(17-19-9-3-2-4-10-19)16-8-15-24(18-33,20-11-5-6-12-20)23-21(25(27,28)29)13-7-14-22(23)26(30,31)32/h2-4,7,9-10,13-14,20H,5-6,8,11-12,15-17H2,1H3
InChIKeyUZRLEFULRMGNMF-UHFFFAOYSA-N
MW482.51 g/mol
LogP7.59
Rot. Bonds8

About 5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile

5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile (PubChem CID 21181444) has the molecular formula C26H28F6N2 and a molecular weight of 482.51 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile
PubChem CID21181444
Molecular FormulaC26H28F6N2
Molecular Weight482.51 g/mol
Exact Mass482.22
IUPAC Name5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile
SMILESCN(CCCC(C#N)(c1c(C(F)(F)F)cccc1C(F)(F)F)C1CCCC1)Cc1ccccc1
InChIInChI=1S/C26H28F6N2/c1-34(17-19-9-3-2-4-10-19)16-8-15-24(18-33,20-11-5-6-12-20)23-21(25(27,28)29)13-7-14-22(23)26(30,31)32/h2-4,7,9-10,13-14,20H,5-6,8,11-12,15-17H2,1H3
InChIKeyUZRLEFULRMGNMF-UHFFFAOYSA-N
XLogP7.59
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.51
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[benzyl(methyl)amino]-2-cyclobutyl-2-(2,6-dibromophenyl)pentanenitrile
CID 21181796
2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile
CID 21181405
5-[benzyl(propan-2-yl)amino]-2-cyclobutyl-2-[2-(trifluoromethyl)phenyl]pentanenitrile
CID 154428269
5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopropylheptanenitrile
CID 21181512
5-[benzyl(methyl)amino]-2-cyclohexyl-2-(3,4-dibromophenyl)pentanenitrile
CID 21181037
2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile
CID 23582575
5-[benzyl(propyl)amino]-2-cyclobutyl-2-(2,6-difluorophenyl)pentanenitrile
CID 21181394
2-cyclobutyl-5-[2-phenylethyl(propan-2-yl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile
CID 154428274
5-[benzyl(methyl)amino]-2-cyclopentyl-2-[2-(trifluoromethyl)phenyl]heptanenitrile
CID 21181361
2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile
CID 21181308
2-cyclobutyl-5-(dibenzylamino)-2-(4-fluorophenyl)pentanenitrile
CID 21180988
2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile
CID 21181190

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile?
The IUPAC name of 5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile (CID 21181444) is 5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile.
What is the SMILES notation for 5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile?
The canonical SMILES for 5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile is CN(CCCC(C#N)(c1c(C(F)(F)F)cccc1C(F)(F)F)C1CCCC1)Cc1ccccc1.
What is the InChIKey of 5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile?
The InChIKey is UZRLEFULRMGNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F6N2/c1-34(17-19-9-3-2-4-10-19)16-8-15-24(18-33,20-11-5-6-12-20)23-21(25(27,28)29)13-7-14-22(23)26(30,31)32/h2-4,7,9-10,13-14,20H,5-6,8,11-12,15-17H2,1H3.
What are the key properties of 5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile?
5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile has a molecular weight of 482.51 g/mol, XLogP of 7.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile is sourced from PubChem (CID 21181444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).