4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium)

C103H128N6+6 — CID 158574149

About 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium)

4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium) (PubChem CID 158574149) has the molecular formula C103H128N6+6 and a molecular weight of 1462.27 g/mol. Its IUPAC name is 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium).

Molecular Properties

• Compound Name: 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium)
• PubChem CID: 158574149
• Molecular Formula: C103H128N6+6
• Molecular Weight: 1462.27 g/mol
• Exact Mass: 1461.09
• IUPAC Name: 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium)
• SMILES: Cc1ccccc1-c1cc(C2CCCC2)c(C)c[n+]1C.Cc1ccccc1-c1cc(C2CCCC2)cc[n+]1C.Cc1ccccc1-c1ccc(C2CCCC2)c[n+]1C.[2H]C([2H])(C)c1c[n+](C)c(-c2ccccc2C)cc1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccccc2C)cc1C([2H])([2H])C.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccccc2C)cc1C([2H])([2H])C
• InChI: InChI=1S/C19H24N.2C18H22N.3C16H20N/c1-14-8-4-7-11-17(14)19-12-18(15(2)13-20(19)3)16-9-5-6-10-16;1-14-7-3-6-10-17(14)18-13-16(11-12-19(18)2)15-8-4-5-9-15;1-14-7-3-6-10-17(14)18-12-11-16(13-19(18)2)15-8-4-5-9-15;2*1-5-14-10-16(17(4)11-13(14)3)15-9-7-6-8-12(15)2;1-5-14-11-17(4)16(10-13(14)3)15-9-7-6-8-12(15)2/h4,7-8,11-13,16H,5-6,9-10H2,1-3H3;2*3,6-7,10-13,15H,4-5,8-9H2,1-2H3;3*6-11H,5H2,1-4H3/q6*+1/i;;;2*3D3,5D2;5D2
• InChIKey: FHYURAVZQXNRSK-ZNUSIPPVSA-N
• XLogP: 22.81
• TPSA: 23.28 Ų
• Rotatable Bonds: 14
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1462.27
LogP ≤ 5	22.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium)?

The IUPAC name of 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium) (CID 158574149) is 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium).

What is the SMILES notation for 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium)?

The canonical SMILES for 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium) is Cc1ccccc1-c1cc(C2CCCC2)c(C)c[n+]1C.Cc1ccccc1-c1cc(C2CCCC2)cc[n+]1C.Cc1ccccc1-c1ccc(C2CCCC2)c[n+]1C.[2H]C([2H])(C)c1c[n+](C)c(-c2ccccc2C)cc1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccccc2C)cc1C([2H])([2H])C.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccccc2C)cc1C([2H])([2H])C.

What is the InChIKey of 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium)?

The InChIKey is FHYURAVZQXNRSK-ZNUSIPPVSA-N. The full InChI is InChI=1S/C19H24N.2C18H22N.3C16H20N/c1-14-8-4-7-11-17(14)19-12-18(15(2)13-20(19)3)16-9-5-6-10-16;1-14-7-3-6-10-17(14)18-13-16(11-12-19(18)2)15-8-4-5-9-15;1-14-7-3-6-10-17(14)18-12-11-16(13-19(18)2)15-8-4-5-9-15;2*1-5-14-10-16(17(4)11-13(14)3)15-9-7-6-8-12(15)2;1-5-14-11-17(4)16(10-13(14)3)15-9-7-6-8-12(15)2/h4,7-8,11-13,16H,5-6,9-10H2,1-3H3;2*3,6-7,10-13,15H,4-5,8-9H2,1-2H3;3*6-11H,5H2,1-4H3/q6*+1/i;;;2*3D3,5D2;5D2.

What are the key properties of 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium)?

4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium) has a molecular weight of 1462.27 g/mol, XLogP of 22.81, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium) is sourced from PubChem (CID 158574149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).