1-methyl-2,6-bis(2-phenylethyl)pyridin-1-ium

C22H24N+ — CID 11178961

IUPAC1-methyl-2,6-bis(2-phenylethyl)pyridin-1-ium
SMILESC[n+]1c(CCc2ccccc2)cccc1CCc1ccccc1
InChIInChI=1S/C22H24N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-14H,15-18H2,1H3/q+1
InChIKeyKLTDNTJBIMLXDF-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.08
Rot. Bonds6

About 1-methyl-2,6-bis(2-phenylethyl)pyridin-1-ium

1-methyl-2,6-bis(2-phenylethyl)pyridin-1-ium (PubChem CID 11178961) has the molecular formula C22H24N+ and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-methyl-2,6-bis(2-phenylethyl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2,6-bis(2-phenylethyl)pyridin-1-ium
PubChem CID11178961
Molecular FormulaC22H24N+
Molecular Weight302.44 g/mol
Exact Mass302.19
IUPAC Name1-methyl-2,6-bis(2-phenylethyl)pyridin-1-ium
SMILESC[n+]1c(CCc2ccccc2)cccc1CCc1ccccc1
InChIInChI=1S/C22H24N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-14H,15-18H2,1H3/q+1
InChIKeyKLTDNTJBIMLXDF-UHFFFAOYSA-N
XLogP4.08
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 18982764
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CID 57313176
hafnium;2-phenylethylbenzene
CID 173109801
1-methyl-2,6-bis[2-(4-methylphenyl)ethyl]pyridin-1-ium;trifluoromethanesulfonate
CID 71606876
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
ethylcyclodecapentaene
CID 90861705
4-phenylbutylbenzene
CID 141301927
1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen
CID 142077285
1,3-diethyl-2-(2-phenylethyl)benzene
CID 14325369

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,6-bis(2-phenylethyl)pyridin-1-ium?
The IUPAC name of 1-methyl-2,6-bis(2-phenylethyl)pyridin-1-ium (CID 11178961) is 1-methyl-2,6-bis(2-phenylethyl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2,6-bis(2-phenylethyl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2,6-bis(2-phenylethyl)pyridin-1-ium is C[n+]1c(CCc2ccccc2)cccc1CCc1ccccc1.
What is the InChIKey of 1-methyl-2,6-bis(2-phenylethyl)pyridin-1-ium?
The InChIKey is KLTDNTJBIMLXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-14H,15-18H2,1H3/q+1.
What are the key properties of 1-methyl-2,6-bis(2-phenylethyl)pyridin-1-ium?
1-methyl-2,6-bis(2-phenylethyl)pyridin-1-ium has a molecular weight of 302.44 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,6-bis(2-phenylethyl)pyridin-1-ium is sourced from PubChem (CID 11178961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).