4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide

C22H38Br4N2+2 — CID 174105717

IUPAC4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide
SMILESBr.Br.Br.Br.Cc1cc[n+](CCCCCCCCCC[n+]2ccc(C)cc2)cc1
InChIInChI=1S/C22H34N2.4BrH/c1-21-11-17-23(18-12-21)15-9-7-5-3-4-6-8-10-16-24-19-13-22(2)14-20-24;;;;/h11-14,17-20H,3-10,15-16H2,1-2H3;4*1H/q+2;;;;
InChIKeyKEZLFUQBORHVDR-UHFFFAOYSA-N
MW650.18 g/mol
LogP7.01
Rot. Bonds11

About 4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide

4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide (PubChem CID 174105717) has the molecular formula C22H38Br4N2+2 and a molecular weight of 650.18 g/mol. Its IUPAC name is 4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide.

Molecular Properties

Compound Name4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide
PubChem CID174105717
Molecular FormulaC22H38Br4N2+2
Molecular Weight650.18 g/mol
Exact Mass645.98
IUPAC Name4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide
SMILESBr.Br.Br.Br.Cc1cc[n+](CCCCCCCCCC[n+]2ccc(C)cc2)cc1
InChIInChI=1S/C22H34N2.4BrH/c1-21-11-17-23(18-12-21)15-9-7-5-3-4-6-8-10-16-24-19-13-22(2)14-20-24;;;;/h11-14,17-20H,3-10,15-16H2,1-2H3;4*1H/q+2;;;;
InChIKeyKEZLFUQBORHVDR-UHFFFAOYSA-N
XLogP7.01
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.18
LogP ≤ 57.01
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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Related Compounds

4-methyl-1-[8-(4-methylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 10813744
4-methyl-1-[7-(4-methylpyridin-1-ium-1-yl)heptyl]pyridin-1-ium dibromide
CID 10527247
6-(4-methylpyridin-1-ium-1-yl)hexane-1-thiol
CID 118937454
12-(4-methylpyridin-1-ium-1-yl)dodecane-1-thiol
CID 118937403
9-(4-methylpyridin-1-ium-1-yl)nonane-1-thiol bromide
CID 118937422
3,4-dimethyl-1-[5-(4-methylpyridin-1-ium-1-yl)pentyl]pyridin-1-ium
CID 172537315
4-methyl-1-[5-[2-[5-(4-methylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium
CID 24742848
4-methyl-1-nonylpyridin-1-ium hexafluorophosphate
CID 158312080
3-(4-methylpyridin-1-ium-1-yl)propan-1-amine bromide
CID 162340463
4-(4-methylpyridin-1-ium-1-yl)butane-1-sulfonic acid
CID 13169114
4-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide
CID 24781680
4-methyl-1-(3-undecylsulfanylpropyl)pyridin-1-ium
CID 132574963

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide?
The IUPAC name of 4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide (CID 174105717) is 4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide.
What is the SMILES notation for 4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide?
The canonical SMILES for 4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide is Br.Br.Br.Br.Cc1cc[n+](CCCCCCCCCC[n+]2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide?
The InChIKey is KEZLFUQBORHVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2.4BrH/c1-21-11-17-23(18-12-21)15-9-7-5-3-4-6-8-10-16-24-19-13-22(2)14-20-24;;;;/h11-14,17-20H,3-10,15-16H2,1-2H3;4*1H/q+2;;;;.
What are the key properties of 4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide?
4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide has a molecular weight of 650.18 g/mol, XLogP of 7.01, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide is sourced from PubChem (CID 174105717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).