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-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridine

C88H107N5+4 — CID 160952728

IUPAC4-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-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridine
SMILESCc1ccccc1-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])c1cnc(-c2ccccc2C)cc1C
InChIInChI=1S/2C19H24N.2C18H22N.C14H15N/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;1-10-6-4-5-7-13(10)14-8-11(2)12(3)9-15-14/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;4-9H,1-3H3/q4*+1;/i;;;;3D3
InChIKeyWMWGPZGHBGBHQT-FKGHQVQYSA-N
MW1237.88 g/mol
LogP20.87
Rot. Bonds10

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-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)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-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridine (PubChem CID 160952728) has the molecular formula C88H107N5+4 and a molecular weight of 1237.88 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-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name4-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-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridine
PubChem CID160952728
Molecular FormulaC88H107N5+4
Molecular Weight1237.88 g/mol
Exact Mass1236.87
IUPAC Name4-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-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridine
SMILESCc1ccccc1-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])c1cnc(-c2ccccc2C)cc1C
InChIInChI=1S/2C19H24N.2C18H22N.C14H15N/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;1-10-6-4-5-7-13(10)14-8-11(2)12(3)9-15-14/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;4-9H,1-3H3/q4*+1;/i;;;;3D3
InChIKeyWMWGPZGHBGBHQT-FKGHQVQYSA-N
XLogP20.87
TPSA28.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001237.88
LogP ≤ 520.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridine with MolForge

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Related Compounds

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
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
4-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium
CID 159268416
5-cyclohexyl-4-(6-cyclohexylnaphthalen-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830013
5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium
CID 167365718
2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium
CID 167365538
6-cyclohexyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium
CID 170405417
5-cyclohexyl-4-[6-(4-cyclopentylphenyl)naphthalen-2-yl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140829935
5-cyclohexyl-4-(7-cyclohexyldibenzothiophen-3-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830106
5-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-[4-(1-deuteriocyclopentyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 159678541
5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140829940
4-(6-cyclohexylnaphthalen-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140829936

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-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)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-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridine (CID 160952728) 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-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)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-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)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-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)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])c1cnc(-c2ccccc2C)cc1C.
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-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridine?
The InChIKey is WMWGPZGHBGBHQT-FKGHQVQYSA-N. The full InChI is InChI=1S/2C19H24N.2C18H22N.C14H15N/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;1-10-6-4-5-7-13(10)14-8-11(2)12(3)9-15-14/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;4-9H,1-3H3/q4*+1;/i;;;;3D3.
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-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)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-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridine has a molecular weight of 1237.88 g/mol, XLogP of 20.87, 10 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-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 160952728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).