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

C120H147N7+6 — CID 159923601

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

4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1,4-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;4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4,5-bis(trideuteriomethyl)pyridin-1-ium;4-methyl-2-(2-methylphenyl)-5-(1,1,2,2,2-pentadeuterioethyl)pyridine (PubChem CID 159923601) has the molecular formula C120H147N7+6 and a molecular weight of 1703.64 g/mol. Its IUPAC name is 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1,4-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;4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4,5-bis(trideuteriomethyl)pyridin-1-ium;4-methyl-2-(2-methylphenyl)-5-(1,1,2,2,2-pentadeuterioethyl)pyridine.

Molecular Properties

• Compound Name: 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1,4-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;4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4,5-bis(trideuteriomethyl)pyridin-1-ium;4-methyl-2-(2-methylphenyl)-5-(1,1,2,2,2-pentadeuterioethyl)pyridine
• PubChem CID: 159923601
• Molecular Formula: C120H147N7+6
• Molecular Weight: 1703.64 g/mol
• Exact Mass: 1702.27
• IUPAC Name: 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1,4-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;4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4,5-bis(trideuteriomethyl)pyridin-1-ium;4-methyl-2-(2-methylphenyl)-5-(1,1,2,2,2-pentadeuterioethyl)pyridine
• SMILES: Cc1ccccc1-c1cc(C)c(C2CCCC2)c[n+]1C.Cc1ccccc1-c1cc(C2CCCC2)c(C)c[n+]1C.Cc1ccccc1-c1cc(C2CCCC2)cc[n+]1C.Cc1ccccc1-c1ccc(C2CCCC2)c[n+]1C.[2H]C([2H])([2H])C([2H])([2H])c1cnc(-c2ccccc2C)cc1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccccc2C)cc1C([2H])([2H])C.[2H]C([2H])([2H])c1cc(-c2ccccc2C)[n+](C)cc1C([2H])([2H])[2H]
• InChI: InChI=1S/2C19H24N.2C18H22N.C16H20N.C15H18N.C15H17N/c1-14-8-4-7-11-17(14)19-12-18(15(2)13-20(19)3)16-9-5-6-10-16;1-14-8-4-7-11-17(14)19-12-15(2)18(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;1-5-14-10-16(17(4)11-13(14)3)15-9-7-6-8-12(15)2;1-11-7-5-6-8-14(11)15-9-12(2)13(3)10-16(15)4;1-4-13-10-16-15(9-12(13)3)14-8-6-5-7-11(14)2/h2*4,7-8,11-13,16H,5-6,9-10H2,1-3H3;2*3,6-7,10-13,15H,4-5,8-9H2,1-2H3;6-11H,5H2,1-4H3;5-10H,1-4H3;5-10H,4H2,1-3H3/q6*+1;/i;;;;3D3,5D2;2D3,3D3;1D3,4D2
• InChIKey: JAEVZCCFIXYUDC-YDYXTPRGSA-N
• XLogP: 27.58
• TPSA: 36.17 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 17
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1703.64
LogP ≤ 5	27.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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

The IUPAC name of 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1,4-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;4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4,5-bis(trideuteriomethyl)pyridin-1-ium;4-methyl-2-(2-methylphenyl)-5-(1,1,2,2,2-pentadeuterioethyl)pyridine (CID 159923601) is 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1,4-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;4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4,5-bis(trideuteriomethyl)pyridin-1-ium;4-methyl-2-(2-methylphenyl)-5-(1,1,2,2,2-pentadeuterioethyl)pyridine.

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

The canonical SMILES for 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1,4-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;4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4,5-bis(trideuteriomethyl)pyridin-1-ium;4-methyl-2-(2-methylphenyl)-5-(1,1,2,2,2-pentadeuterioethyl)pyridine is Cc1ccccc1-c1cc(C)c(C2CCCC2)c[n+]1C.Cc1ccccc1-c1cc(C2CCCC2)c(C)c[n+]1C.Cc1ccccc1-c1cc(C2CCCC2)cc[n+]1C.Cc1ccccc1-c1ccc(C2CCCC2)c[n+]1C.[2H]C([2H])([2H])C([2H])([2H])c1cnc(-c2ccccc2C)cc1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccccc2C)cc1C([2H])([2H])C.[2H]C([2H])([2H])c1cc(-c2ccccc2C)[n+](C)cc1C([2H])([2H])[2H].

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

The InChIKey is JAEVZCCFIXYUDC-YDYXTPRGSA-N. The full InChI is InChI=1S/2C19H24N.2C18H22N.C16H20N.C15H18N.C15H17N/c1-14-8-4-7-11-17(14)19-12-18(15(2)13-20(19)3)16-9-5-6-10-16;1-14-8-4-7-11-17(14)19-12-15(2)18(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;1-5-14-10-16(17(4)11-13(14)3)15-9-7-6-8-12(15)2;1-11-7-5-6-8-14(11)15-9-12(2)13(3)10-16(15)4;1-4-13-10-16-15(9-12(13)3)14-8-6-5-7-11(14)2/h2*4,7-8,11-13,16H,5-6,9-10H2,1-3H3;2*3,6-7,10-13,15H,4-5,8-9H2,1-2H3;6-11H,5H2,1-4H3;5-10H,1-4H3;5-10H,4H2,1-3H3/q6*+1;/i;;;;3D3,5D2;2D3,3D3;1D3,4D2.

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

4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1,4-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;4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4,5-bis(trideuteriomethyl)pyridin-1-ium;4-methyl-2-(2-methylphenyl)-5-(1,1,2,2,2-pentadeuterioethyl)pyridine has a molecular weight of 1703.64 g/mol, XLogP of 27.58, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1,4-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;4-(1,1-dideuterioethyl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4,5-bis(trideuteriomethyl)pyridin-1-ium;4-methyl-2-(2-methylphenyl)-5-(1,1,2,2,2-pentadeuterioethyl)pyridine is sourced from PubChem (CID 159923601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).