1-[3-[3-[3-(2,4-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-2,4-dimethylpyridin-1-ium

C26H34N2+2 — CID 69030208

IUPAC1-[3-[3-[3-(2,4-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-2,4-dimethylpyridin-1-ium
SMILESCc1cc[n+](CCCc2cccc(CCC[n+]3ccc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C26H34N2/c1-21-12-16-27(23(3)18-21)14-6-10-25-8-5-9-26(20-25)11-7-15-28-17-13-22(2)19-24(28)4/h5,8-9,12-13,16-20H,6-7,10-11,14-15H2,1-4H3/q+2
InChIKeyUVGYZKFSKWQQGG-UHFFFAOYSA-N
MW374.57 g/mol
LogP4.76
Rot. Bonds8

About 1-[3-[3-[3-(2,4-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-2,4-dimethylpyridin-1-ium

1-[3-[3-[3-(2,4-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-2,4-dimethylpyridin-1-ium (PubChem CID 69030208) has the molecular formula C26H34N2+2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 1-[3-[3-[3-(2,4-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-2,4-dimethylpyridin-1-ium.

Molecular Properties

Compound Name1-[3-[3-[3-(2,4-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-2,4-dimethylpyridin-1-ium
PubChem CID69030208
Molecular FormulaC26H34N2+2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC Name1-[3-[3-[3-(2,4-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-2,4-dimethylpyridin-1-ium
SMILESCc1cc[n+](CCCc2cccc(CCC[n+]3ccc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C26H34N2/c1-21-12-16-27(23(3)18-21)14-6-10-25-8-5-9-26(20-25)11-7-15-28-17-13-22(2)19-24(28)4/h5,8-9,12-13,16-20H,6-7,10-11,14-15H2,1-4H3/q+2
InChIKeyUVGYZKFSKWQQGG-UHFFFAOYSA-N
XLogP4.76
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[3-[3-[3-(2,4-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-2,4-dimethylpyridin-1-ium with MolForge

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Related Compounds

2,4-dimethyl-1-(3-phenylpropyl)pyridin-1-ium
CID 166057323
3-(2,4-dimethylpyridin-1-ium-1-yl)propan-1-ol
CID 68578625
2-methyl-1-[5-[3-[5-(2-methylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium dibromide
CID 24743189
1-[3-[3-[3-(3,5-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-3,5-dimethylpyridin-1-ium
CID 69030085
2-methyl-1,4-di(undecyl)pyridin-1-ium chloride
CID 71429960
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
2,4-dimethyl-1-(3-nitropropyl)pyridin-1-ium perchlorate
CID 44888930
4-methyl-1-[[3-[(4-methylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium dibromide
CID 10527527
3-(3-methylphenyl)propan-1-amine
CID 12666388
1-butyl-3-methylbenzene;ethane;propane
CID 142068173
ethane;1-methyl-3-pentylbenzene
CID 143267779
2,4-dimethyl-1-prop-2-ynylpyridin-1-ium
CID 163687914

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[3-(2,4-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-2,4-dimethylpyridin-1-ium?
The IUPAC name of 1-[3-[3-[3-(2,4-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-2,4-dimethylpyridin-1-ium (CID 69030208) is 1-[3-[3-[3-(2,4-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-2,4-dimethylpyridin-1-ium.
What is the SMILES notation for 1-[3-[3-[3-(2,4-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-2,4-dimethylpyridin-1-ium?
The canonical SMILES for 1-[3-[3-[3-(2,4-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-2,4-dimethylpyridin-1-ium is Cc1cc[n+](CCCc2cccc(CCC[n+]3ccc(C)cc3C)c2)c(C)c1.
What is the InChIKey of 1-[3-[3-[3-(2,4-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-2,4-dimethylpyridin-1-ium?
The InChIKey is UVGYZKFSKWQQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2/c1-21-12-16-27(23(3)18-21)14-6-10-25-8-5-9-26(20-25)11-7-15-28-17-13-22(2)19-24(28)4/h5,8-9,12-13,16-20H,6-7,10-11,14-15H2,1-4H3/q+2.
What are the key properties of 1-[3-[3-[3-(2,4-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-2,4-dimethylpyridin-1-ium?
1-[3-[3-[3-(2,4-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-2,4-dimethylpyridin-1-ium has a molecular weight of 374.57 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[3-(2,4-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-2,4-dimethylpyridin-1-ium is sourced from PubChem (CID 69030208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).