2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium

C112H154N5+5 — CID 160783579

IUPAC2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium
SMILESCCC(CC)c1ccc(C)c(-c2cc(CC3CCCC3)cc[n+]2C)c1.Cc1ccc(C(C)(C)C)cc1-c1cc(CC2CCCC2)cc[n+]1C.Cc1ccc(C(C)C)cc1-c1cc(CC2CCCC2)cc[n+]1C.Cc1ccc(C)c(-c2cc(CC3CCCC3)cc[n+]2C)c1.Cc1ccc(CC(C)C)cc1-c1cc(CC2CCCC2)cc[n+]1C
InChIInChI=1S/C24H34N.2C23H32N.C22H30N.C20H26N/c1-5-21(6-2)22-12-11-18(3)23(17-22)24-16-20(13-14-25(24)4)15-19-9-7-8-10-19;1-17-10-11-20(23(2,3)4)16-21(17)22-15-19(12-13-24(22)5)14-18-8-6-7-9-18;1-17(2)13-20-10-9-18(3)22(15-20)23-16-21(11-12-24(23)4)14-19-7-5-6-8-19;1-16(2)20-10-9-17(3)21(15-20)22-14-19(11-12-23(22)4)13-18-7-5-6-8-18;1-15-8-9-16(2)19(12-15)20-14-18(10-11-21(20)3)13-17-6-4-5-7-17/h11-14,16-17,19,21H,5-10,15H2,1-4H3;10-13,15-16,18H,6-9,14H2,1-5H3;9-12,15-17,19H,5-8,13-14H2,1-4H3;9-12,14-16,18H,5-8,13H2,1-4H3;8-12,14,17H,4-7,13H2,1-3H3/q5*+1
InChIKeySDHRHCXZVDPTHA-UHFFFAOYSA-N
MW1570.50 g/mol
LogP26.93
Rot. Bonds21

About 2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium

2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium (PubChem CID 160783579) has the molecular formula C112H154N5+5 and a molecular weight of 1570.50 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium
PubChem CID160783579
Molecular FormulaC112H154N5+5
Molecular Weight1570.50 g/mol
Exact Mass1569.22
IUPAC Name2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium
SMILESCCC(CC)c1ccc(C)c(-c2cc(CC3CCCC3)cc[n+]2C)c1.Cc1ccc(C(C)(C)C)cc1-c1cc(CC2CCCC2)cc[n+]1C.Cc1ccc(C(C)C)cc1-c1cc(CC2CCCC2)cc[n+]1C.Cc1ccc(C)c(-c2cc(CC3CCCC3)cc[n+]2C)c1.Cc1ccc(CC(C)C)cc1-c1cc(CC2CCCC2)cc[n+]1C
InChIInChI=1S/C24H34N.2C23H32N.C22H30N.C20H26N/c1-5-21(6-2)22-12-11-18(3)23(17-22)24-16-20(13-14-25(24)4)15-19-9-7-8-10-19;1-17-10-11-20(23(2,3)4)16-21(17)22-15-19(12-13-24(22)5)14-18-8-6-7-9-18;1-17(2)13-20-10-9-18(3)22(15-20)23-16-21(11-12-24(23)4)14-19-7-5-6-8-19;1-16(2)20-10-9-17(3)21(15-20)22-14-19(11-12-23(22)4)13-18-7-5-6-8-18;1-15-8-9-16(2)19(12-15)20-14-18(10-11-21(20)3)13-17-6-4-5-7-17/h11-14,16-17,19,21H,5-10,15H2,1-4H3;10-13,15-16,18H,6-9,14H2,1-5H3;9-12,15-17,19H,5-8,13-14H2,1-4H3;9-12,14-16,18H,5-8,13H2,1-4H3;8-12,14,17H,4-7,13H2,1-3H3/q5*+1
InChIKeySDHRHCXZVDPTHA-UHFFFAOYSA-N
XLogP26.93
TPSA19.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001570.50
LogP ≤ 526.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1-methyl-4-pentan-3-ylpyridin-1-ium;1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]-4-(2-methylpropyl)pyridin-1-ium;1-methyl-2-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-pentan-3-ylpyridin-1-ium
CID 159842169
[6-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(2,4-dimethylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane;[4-(cyclopentylmethyl)-1-methyl-6-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;[4-(cyclopentylmethyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylsilane
CID 158357389
[4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane;[4-tert-butyl-6-(2,4-dimethylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane;[4-tert-butyl-1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane;[4-tert-butyl-1-methyl-6-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane
CID 159208889
[2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane;[2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-propan-2-ylpyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-5-propan-2-ylpyridin-1-ium-4-yl]silane
CID 158592856
[2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane
CID 158210979
1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-4-(2-methylpropyl)pyridin-1-ium
CID 158625991
4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium
CID 159134566
4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium
CID 161280158
4-cyclohexyl-1-methyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium;4-cyclopentyl-1-methyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2-methylphenyl)phenyl]-4-(2-methylpropyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-(2-methylphenyl)phenyl]-4-propan-2-ylpyridin-1-ium
CID 157202209
[6-(4-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane;[4-(cyclopentylmethyl)-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane;[1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]silane
CID 160910554
2-(4-tert-butyl-2-methylphenyl)-1-methyl-4-propan-2-ylpyridin-1-ium
CID 159726150
3-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium
CID 176592433

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium?
The IUPAC name of 2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium (CID 160783579) is 2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium.
What is the SMILES notation for 2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium?
The canonical SMILES for 2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium is CCC(CC)c1ccc(C)c(-c2cc(CC3CCCC3)cc[n+]2C)c1.Cc1ccc(C(C)(C)C)cc1-c1cc(CC2CCCC2)cc[n+]1C.Cc1ccc(C(C)C)cc1-c1cc(CC2CCCC2)cc[n+]1C.Cc1ccc(C)c(-c2cc(CC3CCCC3)cc[n+]2C)c1.Cc1ccc(CC(C)C)cc1-c1cc(CC2CCCC2)cc[n+]1C.
What is the InChIKey of 2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium?
The InChIKey is SDHRHCXZVDPTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N.2C23H32N.C22H30N.C20H26N/c1-5-21(6-2)22-12-11-18(3)23(17-22)24-16-20(13-14-25(24)4)15-19-9-7-8-10-19;1-17-10-11-20(23(2,3)4)16-21(17)22-15-19(12-13-24(22)5)14-18-8-6-7-9-18;1-17(2)13-20-10-9-18(3)22(15-20)23-16-21(11-12-24(23)4)14-19-7-5-6-8-19;1-16(2)20-10-9-17(3)21(15-20)22-14-19(11-12-23(22)4)13-18-7-5-6-8-18;1-15-8-9-16(2)19(12-15)20-14-18(10-11-21(20)3)13-17-6-4-5-7-17/h11-14,16-17,19,21H,5-10,15H2,1-4H3;10-13,15-16,18H,6-9,14H2,1-5H3;9-12,15-17,19H,5-8,13-14H2,1-4H3;9-12,14-16,18H,5-8,13H2,1-4H3;8-12,14,17H,4-7,13H2,1-3H3/q5*+1.
What are the key properties of 2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium?
2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium has a molecular weight of 1570.50 g/mol, XLogP of 26.93, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium is sourced from PubChem (CID 160783579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).