6-cyclopentyl-1-(3,5-diethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(2,5-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(5-ethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium

C127H154N5+5 — CID 158411713

About 6-cyclopentyl-1-(3,5-diethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(2,5-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(5-ethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium

6-cyclopentyl-1-(3,5-diethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(2,5-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(5-ethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium (PubChem CID 158411713) has the molecular formula C127H154N5+5 and a molecular weight of 1750.66 g/mol. Its IUPAC name is 6-cyclopentyl-1-(3,5-diethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(2,5-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(5-ethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium.

Molecular Properties

• Compound Name: 6-cyclopentyl-1-(3,5-diethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(2,5-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(5-ethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium
• PubChem CID: 158411713
• Molecular Formula: C127H154N5+5
• Molecular Weight: 1750.66 g/mol
• Exact Mass: 1749.22
• IUPAC Name: 6-cyclopentyl-1-(3,5-diethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(2,5-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(5-ethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium
• SMILES: CCc1cc(CC)c(C)c(-c2c3ccc(C4CCCC4)cc3cc(C)[n+]2C)c1.CCc1ccc(C)c(-c2c3ccc(C4CCCC4)cc3cc(C)[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3ccc(C4CCCC4)cc3cc(C)[n+]2C)c1.Cc1ccc(C(C)C)cc1-c1c2ccc(C3CCCC3)cc2cc(C)[n+]1C.Cc1ccc(C)c(-c2c3ccc(C4CCCC4)cc3cc(C)[n+]2C)c1
• InChI: InChI=1S/C27H34N.C26H32N.2C25H30N.C24H28N/c1-6-20-15-21(7-2)19(4)26(16-20)27-25-13-12-23(22-10-8-9-11-22)17-24(25)14-18(3)28(27)5;1-17(2)21-11-10-18(3)25(16-21)26-24-13-12-22(20-8-6-7-9-20)15-23(24)14-19(4)27(26)5;1-16-12-17(2)19(4)24(13-16)25-23-11-10-21(20-8-6-7-9-20)15-22(23)14-18(3)26(25)5;1-5-19-11-10-17(2)24(15-19)25-23-13-12-21(20-8-6-7-9-20)16-22(23)14-18(3)26(25)4;1-16-9-10-17(2)23(13-16)24-22-12-11-20(19-7-5-6-8-19)15-21(22)14-18(3)25(24)4/h12-17,22H,6-11H2,1-5H3;10-17,20H,6-9H2,1-5H3;10-15,20H,6-9H2,1-5H3;10-16,20H,5-9H2,1-4H3;9-15,19H,5-8H2,1-4H3/q5*+1
• InChIKey: DOYBCHYIXJNLIU-UHFFFAOYSA-N
• XLogP: 31.76
• TPSA: 19.40 Ų
• Rotatable Bonds: 14
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1750.66
LogP ≤ 5	31.76
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 6-cyclopentyl-1-(3,5-diethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(2,5-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(5-ethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium?

The IUPAC name of 6-cyclopentyl-1-(3,5-diethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(2,5-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(5-ethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium (CID 158411713) is 6-cyclopentyl-1-(3,5-diethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(2,5-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(5-ethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium.

What is the SMILES notation for 6-cyclopentyl-1-(3,5-diethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(2,5-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(5-ethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium?

The canonical SMILES for 6-cyclopentyl-1-(3,5-diethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(2,5-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(5-ethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium is CCc1cc(CC)c(C)c(-c2c3ccc(C4CCCC4)cc3cc(C)[n+]2C)c1.CCc1ccc(C)c(-c2c3ccc(C4CCCC4)cc3cc(C)[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3ccc(C4CCCC4)cc3cc(C)[n+]2C)c1.Cc1ccc(C(C)C)cc1-c1c2ccc(C3CCCC3)cc2cc(C)[n+]1C.Cc1ccc(C)c(-c2c3ccc(C4CCCC4)cc3cc(C)[n+]2C)c1.

What is the InChIKey of 6-cyclopentyl-1-(3,5-diethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(2,5-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(5-ethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium?

The InChIKey is DOYBCHYIXJNLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N.C26H32N.2C25H30N.C24H28N/c1-6-20-15-21(7-2)19(4)26(16-20)27-25-13-12-23(22-10-8-9-11-22)17-24(25)14-18(3)28(27)5;1-17(2)21-11-10-18(3)25(16-21)26-24-13-12-22(20-8-6-7-9-20)15-23(24)14-19(4)27(26)5;1-16-12-17(2)19(4)24(13-16)25-23-11-10-21(20-8-6-7-9-20)15-22(23)14-18(3)26(25)5;1-5-19-11-10-17(2)24(15-19)25-23-13-12-21(20-8-6-7-9-20)16-22(23)14-18(3)26(25)4;1-16-9-10-17(2)23(13-16)24-22-12-11-20(19-7-5-6-8-19)15-21(22)14-18(3)25(24)4/h12-17,22H,6-11H2,1-5H3;10-17,20H,6-9H2,1-5H3;10-15,20H,6-9H2,1-5H3;10-16,20H,5-9H2,1-4H3;9-15,19H,5-8H2,1-4H3/q5*+1.

What are the key properties of 6-cyclopentyl-1-(3,5-diethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(2,5-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(5-ethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium?

6-cyclopentyl-1-(3,5-diethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(2,5-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(5-ethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium has a molecular weight of 1750.66 g/mol, XLogP of 31.76, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopentyl-1-(3,5-diethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(2,5-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium;6-cyclopentyl-2,3-dimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-cyclopentyl-1-(5-ethyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium is sourced from PubChem (CID 158411713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).