2,4,6-trimethyl-1-[10-(2,4,6-trimethylpyridin-1-ium-1-yl)decyl]pyridin-1-ium

C26H42N2+2 — CID 135391858

IUPAC2,4,6-trimethyl-1-[10-(2,4,6-trimethylpyridin-1-ium-1-yl)decyl]pyridin-1-ium
SMILESCc1cc(C)[n+](CCCCCCCCCC[n+]2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C26H42N2/c1-21-17-23(3)27(24(4)18-21)15-13-11-9-7-8-10-12-14-16-28-25(5)19-22(2)20-26(28)6/h17-20H,7-16H2,1-6H3/q+2
InChIKeyXXSQLGMGUKLJOP-UHFFFAOYSA-N
MW382.64 g/mol
LogP5.93
Rot. Bonds11

About 2,4,6-trimethyl-1-[10-(2,4,6-trimethylpyridin-1-ium-1-yl)decyl]pyridin-1-ium

2,4,6-trimethyl-1-[10-(2,4,6-trimethylpyridin-1-ium-1-yl)decyl]pyridin-1-ium (PubChem CID 135391858) has the molecular formula C26H42N2+2 and a molecular weight of 382.64 g/mol. Its IUPAC name is 2,4,6-trimethyl-1-[10-(2,4,6-trimethylpyridin-1-ium-1-yl)decyl]pyridin-1-ium.

Molecular Properties

Compound Name2,4,6-trimethyl-1-[10-(2,4,6-trimethylpyridin-1-ium-1-yl)decyl]pyridin-1-ium
PubChem CID135391858
Molecular FormulaC26H42N2+2
Molecular Weight382.64 g/mol
Exact Mass382.33
IUPAC Name2,4,6-trimethyl-1-[10-(2,4,6-trimethylpyridin-1-ium-1-yl)decyl]pyridin-1-ium
SMILESCc1cc(C)[n+](CCCCCCCCCC[n+]2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C26H42N2/c1-21-17-23(3)27(24(4)18-21)15-13-11-9-7-8-10-12-14-16-28-25(5)19-22(2)20-26(28)6/h17-20H,7-16H2,1-6H3/q+2
InChIKeyXXSQLGMGUKLJOP-UHFFFAOYSA-N
XLogP5.93
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.64
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-1-[10-(2,4,6-trimethylpyridin-1-ium-1-yl)decyl]pyridin-1-ium?
The IUPAC name of 2,4,6-trimethyl-1-[10-(2,4,6-trimethylpyridin-1-ium-1-yl)decyl]pyridin-1-ium (CID 135391858) is 2,4,6-trimethyl-1-[10-(2,4,6-trimethylpyridin-1-ium-1-yl)decyl]pyridin-1-ium.
What is the SMILES notation for 2,4,6-trimethyl-1-[10-(2,4,6-trimethylpyridin-1-ium-1-yl)decyl]pyridin-1-ium?
The canonical SMILES for 2,4,6-trimethyl-1-[10-(2,4,6-trimethylpyridin-1-ium-1-yl)decyl]pyridin-1-ium is Cc1cc(C)[n+](CCCCCCCCCC[n+]2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-1-[10-(2,4,6-trimethylpyridin-1-ium-1-yl)decyl]pyridin-1-ium?
The InChIKey is XXSQLGMGUKLJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2/c1-21-17-23(3)27(24(4)18-21)15-13-11-9-7-8-10-12-14-16-28-25(5)19-22(2)20-26(28)6/h17-20H,7-16H2,1-6H3/q+2.
What are the key properties of 2,4,6-trimethyl-1-[10-(2,4,6-trimethylpyridin-1-ium-1-yl)decyl]pyridin-1-ium?
2,4,6-trimethyl-1-[10-(2,4,6-trimethylpyridin-1-ium-1-yl)decyl]pyridin-1-ium has a molecular weight of 382.64 g/mol, XLogP of 5.93, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-1-[10-(2,4,6-trimethylpyridin-1-ium-1-yl)decyl]pyridin-1-ium is sourced from PubChem (CID 135391858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).