1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylisoquinolin-2-ium;1,2,3,4,5,6,8-heptamethyl-7-propan-2-ylquinolin-1-ium;1,2,3,4,6,7,8-heptamethyl-5-propan-2-ylquinolin-1-ium;1,2,3,5,6,7,8-heptamethyl-4-propan-2-ylquinolin-1-ium;1,3,4,5,7,8-hexamethyl-6-propan-2-ylisoquinoline;methane;1,2,3,4,5-pentamethyl-6-propan-2-ylpyridin-1-ium;1,2,3,5,6-pentamethyl-4-propan-2-ylpyridin-1-ium

C121H185N7+6 — CID 163921401

About 1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylisoquinolin-2-ium;1,2,3,4,5,6,8-heptamethyl-7-propan-2-ylquinolin-1-ium;1,2,3,4,6,7,8-heptamethyl-5-propan-2-ylquinolin-1-ium;1,2,3,5,6,7,8-heptamethyl-4-propan-2-ylquinolin-1-ium;1,3,4,5,7,8-hexamethyl-6-propan-2-ylisoquinoline;methane;1,2,3,4,5-pentamethyl-6-propan-2-ylpyridin-1-ium;1,2,3,5,6-pentamethyl-4-propan-2-ylpyridin-1-ium

1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylisoquinolin-2-ium;1,2,3,4,5,6,8-heptamethyl-7-propan-2-ylquinolin-1-ium;1,2,3,4,6,7,8-heptamethyl-5-propan-2-ylquinolin-1-ium;1,2,3,5,6,7,8-heptamethyl-4-propan-2-ylquinolin-1-ium;1,3,4,5,7,8-hexamethyl-6-propan-2-ylisoquinoline;methane;1,2,3,4,5-pentamethyl-6-propan-2-ylpyridin-1-ium;1,2,3,5,6-pentamethyl-4-propan-2-ylpyridin-1-ium (PubChem CID 163921401) has the molecular formula C121H185N7+6 and a molecular weight of 1737.86 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylisoquinolin-2-ium;1,2,3,4,5,6,8-heptamethyl-7-propan-2-ylquinolin-1-ium;1,2,3,4,6,7,8-heptamethyl-5-propan-2-ylquinolin-1-ium;1,2,3,5,6,7,8-heptamethyl-4-propan-2-ylquinolin-1-ium;1,3,4,5,7,8-hexamethyl-6-propan-2-ylisoquinoline;methane;1,2,3,4,5-pentamethyl-6-propan-2-ylpyridin-1-ium;1,2,3,5,6-pentamethyl-4-propan-2-ylpyridin-1-ium.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylisoquinolin-2-ium;1,2,3,4,5,6,8-heptamethyl-7-propan-2-ylquinolin-1-ium;1,2,3,4,6,7,8-heptamethyl-5-propan-2-ylquinolin-1-ium;1,2,3,5,6,7,8-heptamethyl-4-propan-2-ylquinolin-1-ium;1,3,4,5,7,8-hexamethyl-6-propan-2-ylisoquinoline;methane;1,2,3,4,5-pentamethyl-6-propan-2-ylpyridin-1-ium;1,2,3,5,6-pentamethyl-4-propan-2-ylpyridin-1-ium
• PubChem CID: 163921401
• Molecular Formula: C121H185N7+6
• Molecular Weight: 1737.86 g/mol
• Exact Mass: 1736.47
• IUPAC Name: 1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylisoquinolin-2-ium;1,2,3,4,5,6,8-heptamethyl-7-propan-2-ylquinolin-1-ium;1,2,3,4,6,7,8-heptamethyl-5-propan-2-ylquinolin-1-ium;1,2,3,5,6,7,8-heptamethyl-4-propan-2-ylquinolin-1-ium;1,3,4,5,7,8-hexamethyl-6-propan-2-ylisoquinoline;methane;1,2,3,4,5-pentamethyl-6-propan-2-ylpyridin-1-ium;1,2,3,5,6-pentamethyl-4-propan-2-ylpyridin-1-ium
• SMILES: C.Cc1c(C(C)C)c(C)c(C)[n+](C)c1C.Cc1c(C(C)C)c(C)c2c(c1C)c(C)c(C)c(C)[n+]2C.Cc1c(C)c(C(C)C)c2c(C)[n+](C)c(C)c(C)c2c1C.Cc1c(C)c(C)[n+](C)c(C(C)C)c1C.Cc1c(C)c(C)c2c(c(C)c(C)c(C)[n+]2C)c1C(C)C.Cc1c(C)c(C)c2c(c1C)c(C(C)C)c(C)c(C)[n+]2C.Cc1nc(C)c2c(C)c(C)c(C(C)C)c(C)c2c1C
• InChI: InChI=1S/4C19H28N.C18H25N.2C13H22N.CH4/c1-10(2)17-13(5)11(3)15(7)19-18(17)14(6)12(4)16(8)20(19)9;1-10(2)17-13(5)14(6)18-12(4)11(3)16(8)20(9)19(18)15(17)7;1-10(2)17-12(4)11(3)13(5)18-14(6)15(7)20(9)16(8)19(17)18;1-10(2)17-15(7)16(8)20(9)19-14(6)12(4)11(3)13(5)18(17)19;1-9(2)16-10(3)11(4)18-15(8)19-14(7)12(5)17(18)13(16)6;1-8(2)13-9(3)11(5)14(7)12(6)10(13)4;1-8(2)13-11(5)9(3)10(4)12(6)14(13)7;/h4*10H,1-9H3;9H,1-8H3;2*8H,1-7H3;1H4/q4*+1;;2*+1
• InChIKey: DAORYKKREOVSPG-UHFFFAOYSA-N
• XLogP: 30.13
• TPSA: 36.17 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1737.86
LogP ≤ 5	30.13
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 1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylisoquinolin-2-ium;1,2,3,4,5,6,8-heptamethyl-7-propan-2-ylquinolin-1-ium;1,2,3,4,6,7,8-heptamethyl-5-propan-2-ylquinolin-1-ium;1,2,3,5,6,7,8-heptamethyl-4-propan-2-ylquinolin-1-ium;1,3,4,5,7,8-hexamethyl-6-propan-2-ylisoquinoline;methane;1,2,3,4,5-pentamethyl-6-propan-2-ylpyridin-1-ium;1,2,3,5,6-pentamethyl-4-propan-2-ylpyridin-1-ium?

The IUPAC name of 1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylisoquinolin-2-ium;1,2,3,4,5,6,8-heptamethyl-7-propan-2-ylquinolin-1-ium;1,2,3,4,6,7,8-heptamethyl-5-propan-2-ylquinolin-1-ium;1,2,3,5,6,7,8-heptamethyl-4-propan-2-ylquinolin-1-ium;1,3,4,5,7,8-hexamethyl-6-propan-2-ylisoquinoline;methane;1,2,3,4,5-pentamethyl-6-propan-2-ylpyridin-1-ium;1,2,3,5,6-pentamethyl-4-propan-2-ylpyridin-1-ium (CID 163921401) is 1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylisoquinolin-2-ium;1,2,3,4,5,6,8-heptamethyl-7-propan-2-ylquinolin-1-ium;1,2,3,4,6,7,8-heptamethyl-5-propan-2-ylquinolin-1-ium;1,2,3,5,6,7,8-heptamethyl-4-propan-2-ylquinolin-1-ium;1,3,4,5,7,8-hexamethyl-6-propan-2-ylisoquinoline;methane;1,2,3,4,5-pentamethyl-6-propan-2-ylpyridin-1-ium;1,2,3,5,6-pentamethyl-4-propan-2-ylpyridin-1-ium.

What is the SMILES notation for 1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylisoquinolin-2-ium;1,2,3,4,5,6,8-heptamethyl-7-propan-2-ylquinolin-1-ium;1,2,3,4,6,7,8-heptamethyl-5-propan-2-ylquinolin-1-ium;1,2,3,5,6,7,8-heptamethyl-4-propan-2-ylquinolin-1-ium;1,3,4,5,7,8-hexamethyl-6-propan-2-ylisoquinoline;methane;1,2,3,4,5-pentamethyl-6-propan-2-ylpyridin-1-ium;1,2,3,5,6-pentamethyl-4-propan-2-ylpyridin-1-ium?

The canonical SMILES for 1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylisoquinolin-2-ium;1,2,3,4,5,6,8-heptamethyl-7-propan-2-ylquinolin-1-ium;1,2,3,4,6,7,8-heptamethyl-5-propan-2-ylquinolin-1-ium;1,2,3,5,6,7,8-heptamethyl-4-propan-2-ylquinolin-1-ium;1,3,4,5,7,8-hexamethyl-6-propan-2-ylisoquinoline;methane;1,2,3,4,5-pentamethyl-6-propan-2-ylpyridin-1-ium;1,2,3,5,6-pentamethyl-4-propan-2-ylpyridin-1-ium is C.Cc1c(C(C)C)c(C)c(C)[n+](C)c1C.Cc1c(C(C)C)c(C)c2c(c1C)c(C)c(C)c(C)[n+]2C.Cc1c(C)c(C(C)C)c2c(C)[n+](C)c(C)c(C)c2c1C.Cc1c(C)c(C)[n+](C)c(C(C)C)c1C.Cc1c(C)c(C)c2c(c(C)c(C)c(C)[n+]2C)c1C(C)C.Cc1c(C)c(C)c2c(c1C)c(C(C)C)c(C)c(C)[n+]2C.Cc1nc(C)c2c(C)c(C)c(C(C)C)c(C)c2c1C.

What is the InChIKey of 1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylisoquinolin-2-ium;1,2,3,4,5,6,8-heptamethyl-7-propan-2-ylquinolin-1-ium;1,2,3,4,6,7,8-heptamethyl-5-propan-2-ylquinolin-1-ium;1,2,3,5,6,7,8-heptamethyl-4-propan-2-ylquinolin-1-ium;1,3,4,5,7,8-hexamethyl-6-propan-2-ylisoquinoline;methane;1,2,3,4,5-pentamethyl-6-propan-2-ylpyridin-1-ium;1,2,3,5,6-pentamethyl-4-propan-2-ylpyridin-1-ium?

The InChIKey is DAORYKKREOVSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C19H28N.C18H25N.2C13H22N.CH4/c1-10(2)17-13(5)11(3)15(7)19-18(17)14(6)12(4)16(8)20(19)9;1-10(2)17-13(5)14(6)18-12(4)11(3)16(8)20(9)19(18)15(17)7;1-10(2)17-12(4)11(3)13(5)18-14(6)15(7)20(9)16(8)19(17)18;1-10(2)17-15(7)16(8)20(9)19-14(6)12(4)11(3)13(5)18(17)19;1-9(2)16-10(3)11(4)18-15(8)19-14(7)12(5)17(18)13(16)6;1-8(2)13-9(3)11(5)14(7)12(6)10(13)4;1-8(2)13-11(5)9(3)10(4)12(6)14(13)7;/h4*10H,1-9H3;9H,1-8H3;2*8H,1-7H3;1H4/q4*+1;;2*+1;.

What are the key properties of 1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylisoquinolin-2-ium;1,2,3,4,5,6,8-heptamethyl-7-propan-2-ylquinolin-1-ium;1,2,3,4,6,7,8-heptamethyl-5-propan-2-ylquinolin-1-ium;1,2,3,5,6,7,8-heptamethyl-4-propan-2-ylquinolin-1-ium;1,3,4,5,7,8-hexamethyl-6-propan-2-ylisoquinoline;methane;1,2,3,4,5-pentamethyl-6-propan-2-ylpyridin-1-ium;1,2,3,5,6-pentamethyl-4-propan-2-ylpyridin-1-ium?

1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylisoquinolin-2-ium;1,2,3,4,5,6,8-heptamethyl-7-propan-2-ylquinolin-1-ium;1,2,3,4,6,7,8-heptamethyl-5-propan-2-ylquinolin-1-ium;1,2,3,5,6,7,8-heptamethyl-4-propan-2-ylquinolin-1-ium;1,3,4,5,7,8-hexamethyl-6-propan-2-ylisoquinoline;methane;1,2,3,4,5-pentamethyl-6-propan-2-ylpyridin-1-ium;1,2,3,5,6-pentamethyl-4-propan-2-ylpyridin-1-ium has a molecular weight of 1737.86 g/mol, XLogP of 30.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylisoquinolin-2-ium;1,2,3,4,5,6,8-heptamethyl-7-propan-2-ylquinolin-1-ium;1,2,3,4,6,7,8-heptamethyl-5-propan-2-ylquinolin-1-ium;1,2,3,5,6,7,8-heptamethyl-4-propan-2-ylquinolin-1-ium;1,3,4,5,7,8-hexamethyl-6-propan-2-ylisoquinoline;methane;1,2,3,4,5-pentamethyl-6-propan-2-ylpyridin-1-ium;1,2,3,5,6-pentamethyl-4-propan-2-ylpyridin-1-ium is sourced from PubChem (CID 163921401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).