1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium

C18H22N+ — CID 170685494

IUPAC1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1cccc[n+]1C)C(C)(C)CC2
InChIInChI=1S/C18H22N/c1-13-11-14-8-9-18(2,3)16(14)12-15(13)17-7-5-6-10-19(17)4/h5-7,10-12H,8-9H2,1-4H3/q+1
InChIKeyZNGMUNAEPZUDJT-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.71
Rot. Bonds1

About 1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium

1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium (PubChem CID 170685494) has the molecular formula C18H22N+ and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium
PubChem CID170685494
Molecular FormulaC18H22N+
Molecular Weight252.38 g/mol
Exact Mass252.17
IUPAC Name1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1cccc[n+]1C)C(C)(C)CC2
InChIInChI=1S/C18H22N/c1-13-11-14-8-9-18(2,3)16(14)12-15(13)17-7-5-6-10-19(17)4/h5-7,10-12H,8-9H2,1-4H3/q+1
InChIKeyZNGMUNAEPZUDJT-UHFFFAOYSA-N
XLogP3.71
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.71
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-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium
CID 140720316
1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium
CID 59306168
1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium
CID 157243436
1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium
CID 177074990
2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine
CID 140839461
1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium
CID 162062988
2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 167365761
2-[4-(deuteriomethyl)-2-methyl-5-phenylphenyl]-1-methylpyridin-1-ium
CID 172534733
1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium
CID 177075093
2-(4-isocyano-2-methylphenyl)-1-methylpyridin-1-ium
CID 176621919
2-[5-(3,3-dimethylspiro[1-benzofuran-2,1'-cyclopentane]-6-yl)-2-methyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium
CID 140899414
2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium
CID 158693695

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium (CID 170685494) is 1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium is Cc1cc2c(cc1-c1cccc[n+]1C)C(C)(C)CC2.
What is the InChIKey of 1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium?
The InChIKey is ZNGMUNAEPZUDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N/c1-13-11-14-8-9-18(2,3)16(14)12-15(13)17-7-5-6-10-19(17)4/h5-7,10-12H,8-9H2,1-4H3/q+1.
What are the key properties of 1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium?
1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium has a molecular weight of 252.38 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium is sourced from PubChem (CID 170685494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).