2-methyl-1-[10-(2-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium

C22H34N2+2 — CID 2783485

IUPAC2-methyl-1-[10-(2-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium
SMILESCc1cccc[n+]1CCCCCCCCCC[n+]1ccccc1C
InChIInChI=1S/C22H34N2/c1-21-15-9-13-19-23(21)17-11-7-5-3-4-6-8-12-18-24-20-14-10-16-22(24)2/h9-10,13-16,19-20H,3-8,11-12,17-18H2,1-2H3/q+2
InChIKeyHQQKWRPQQKVXRB-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.70
Rot. Bonds11

About 2-methyl-1-[10-(2-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium

2-methyl-1-[10-(2-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium (PubChem CID 2783485) has the molecular formula C22H34N2+2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 2-methyl-1-[10-(2-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium.

Molecular Properties

Compound Name2-methyl-1-[10-(2-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium
PubChem CID2783485
Molecular FormulaC22H34N2+2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name2-methyl-1-[10-(2-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium
SMILESCc1cccc[n+]1CCCCCCCCCC[n+]1ccccc1C
InChIInChI=1S/C22H34N2/c1-21-15-9-13-19-23(21)17-11-7-5-3-4-6-8-12-18-24-20-14-10-16-22(24)2/h9-10,13-16,19-20H,3-8,11-12,17-18H2,1-2H3/q+2
InChIKeyHQQKWRPQQKVXRB-UHFFFAOYSA-N
XLogP4.70
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.70
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-methyl-1-[10-(2-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium?
The IUPAC name of 2-methyl-1-[10-(2-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium (CID 2783485) is 2-methyl-1-[10-(2-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium.
What is the SMILES notation for 2-methyl-1-[10-(2-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium?
The canonical SMILES for 2-methyl-1-[10-(2-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium is Cc1cccc[n+]1CCCCCCCCCC[n+]1ccccc1C.
What is the InChIKey of 2-methyl-1-[10-(2-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium?
The InChIKey is HQQKWRPQQKVXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2/c1-21-15-9-13-19-23(21)17-11-7-5-3-4-6-8-12-18-24-20-14-10-16-22(24)2/h9-10,13-16,19-20H,3-8,11-12,17-18H2,1-2H3/q+2.
What are the key properties of 2-methyl-1-[10-(2-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium?
2-methyl-1-[10-(2-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium has a molecular weight of 326.53 g/mol, XLogP of 4.70, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[10-(2-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium is sourced from PubChem (CID 2783485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).