1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium

C20H26N+ — CID 177075093

IUPAC1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium
SMILESCc1ccc2c(c1-c1cccc[n+]1C)C(C)(C)CC2(C)C
InChIInChI=1S/C20H26N/c1-14-10-11-15-18(20(4,5)13-19(15,2)3)17(14)16-9-7-8-12-21(16)6/h7-12H,13H2,1-6H3/q+1
InChIKeyPGOFPYSPSDLEMY-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.45
Rot. Bonds1

About 1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium

1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium (PubChem CID 177075093) has the molecular formula C20H26N+ and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium
PubChem CID177075093
Molecular FormulaC20H26N+
Molecular Weight280.44 g/mol
Exact Mass280.21
IUPAC Name1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium
SMILESCc1ccc2c(c1-c1cccc[n+]1C)C(C)(C)CC2(C)C
InChIInChI=1S/C20H26N/c1-14-10-11-15-18(20(4,5)13-19(15,2)3)17(14)16-9-7-8-12-21(16)6/h7-12H,13H2,1-6H3/q+1
InChIKeyPGOFPYSPSDLEMY-UHFFFAOYSA-N
XLogP4.45
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.45
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

1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium
CID 159863789
1-methyl-2-[3-methyl-7-(1,1,3,3-tetramethyl-2H-inden-5-yl)dibenzofuran-4-yl]pyridin-1-ium
CID 167357324
1-methyl-2-(3,3,6-trimethylspiro[1-benzofuran-2,1'-cyclohexane]-7-yl)pyridin-1-ium
CID 140899520
2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
CID 140800379
1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium
CID 140839454
1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium
CID 140899490
2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium
CID 162063362
6,17,17,20,20-pentamethyl-5-(1-methylpyridin-1-ium-2-yl)-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4(9),5,7,10,12,14,16(21)-octaene
CID 176822456
2-(8-isocyano-2,9,9-trimethylfluoren-1-yl)-1-methylpyridin-1-ium
CID 154615538
1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium
CID 140899480
1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclohexane]-8-yl)pyridin-1-ium
CID 140899479
5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
CID 161312540

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium (CID 177075093) is 1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium is Cc1ccc2c(c1-c1cccc[n+]1C)C(C)(C)CC2(C)C.
What is the InChIKey of 1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium?
The InChIKey is PGOFPYSPSDLEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N/c1-14-10-11-15-18(20(4,5)13-19(15,2)3)17(14)16-9-7-8-12-21(16)6/h7-12H,13H2,1-6H3/q+1.
What are the key properties of 1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium?
1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium has a molecular weight of 280.44 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium is sourced from PubChem (CID 177075093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).