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

C20H30N2+2 — CID 4554221

IUPAC2,4,6-trimethyl-1-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)butyl]pyridin-1-ium
SMILESCc1cc(C)[n+](CCCC[n+]2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C20H30N2/c1-15-11-17(3)21(18(4)12-15)9-7-8-10-22-19(5)13-16(2)14-20(22)6/h11-14H,7-10H2,1-6H3/q+2
InChIKeyQUHGCUQSYQADEQ-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.59
Rot. Bonds5

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

2,4,6-trimethyl-1-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)butyl]pyridin-1-ium (PubChem CID 4554221) has the molecular formula C20H30N2+2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2,4,6-trimethyl-1-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)butyl]pyridin-1-ium.

Molecular Properties

Compound Name2,4,6-trimethyl-1-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)butyl]pyridin-1-ium
PubChem CID4554221
Molecular FormulaC20H30N2+2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name2,4,6-trimethyl-1-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)butyl]pyridin-1-ium
SMILESCc1cc(C)[n+](CCCC[n+]2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C20H30N2/c1-15-11-17(3)21(18(4)12-15)9-7-8-10-22-19(5)13-16(2)14-20(22)6/h11-14H,7-10H2,1-6H3/q+2
InChIKeyQUHGCUQSYQADEQ-UHFFFAOYSA-N
XLogP3.59
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.59
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-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)butyl]pyridin-1-ium?
The IUPAC name of 2,4,6-trimethyl-1-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)butyl]pyridin-1-ium (CID 4554221) is 2,4,6-trimethyl-1-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)butyl]pyridin-1-ium.
What is the SMILES notation for 2,4,6-trimethyl-1-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)butyl]pyridin-1-ium?
The canonical SMILES for 2,4,6-trimethyl-1-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)butyl]pyridin-1-ium is Cc1cc(C)[n+](CCCC[n+]2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-1-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)butyl]pyridin-1-ium?
The InChIKey is QUHGCUQSYQADEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-15-11-17(3)21(18(4)12-15)9-7-8-10-22-19(5)13-16(2)14-20(22)6/h11-14H,7-10H2,1-6H3/q+2.
What are the key properties of 2,4,6-trimethyl-1-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)butyl]pyridin-1-ium?
2,4,6-trimethyl-1-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)butyl]pyridin-1-ium has a molecular weight of 298.47 g/mol, XLogP of 3.59, 5 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-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)butyl]pyridin-1-ium is sourced from PubChem (CID 4554221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).