1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium

C19H24N+ — CID 177074930

IUPAC1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium
SMILESCc1cc2c(cc1-c1ccc(C(C)C)c[n+]1C)CCC2
InChIInChI=1S/C19H24N/c1-13(2)17-8-9-19(20(4)12-17)18-11-16-7-5-6-15(16)10-14(18)3/h8-13H,5-7H2,1-4H3/q+1
InChIKeyNPAKBSCJEZJNIO-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.10
Rot. Bonds2

About 1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium

1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium (PubChem CID 177074930) has the molecular formula C19H24N+ and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium
PubChem CID177074930
Molecular FormulaC19H24N+
Molecular Weight266.41 g/mol
Exact Mass266.19
IUPAC Name1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium
SMILESCc1cc2c(cc1-c1ccc(C(C)C)c[n+]1C)CCC2
InChIInChI=1S/C19H24N/c1-13(2)17-8-9-19(20(4)12-17)18-11-16-7-5-6-15(16)10-14(18)3/h8-13H,5-7H2,1-4H3/q+1
InChIKeyNPAKBSCJEZJNIO-UHFFFAOYSA-N
XLogP4.10
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium with MolForge

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Related Compounds

2-(4-cyclohexyl-2-methylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium
CID 123552926
1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium
CID 123227132
1-methyl-5-(2-methylpropyl)-2-(5,5,8,8-tetradeuterio-3-methyl-6,7-dihydronaphthalen-2-yl)pyridin-1-ium
CID 177074958
5-tert-butyl-1-methyl-2-(5,5,8,8-tetradeuterio-3-methyl-6,7-dihydronaphthalen-2-yl)pyridin-1-ium
CID 177074933
1-methyl-2-(3-methyl-5,6,7,8,8a,9,10,10a-octahydroanthracen-2-yl)-5-(2-methylpropyl)pyridin-1-ium
CID 177075114
5-tert-butyl-1-methyl-2-(3-methyl-5,6,7,8,8a,9,10,10a-octahydroanthracen-2-yl)pyridin-1-ium
CID 177074928
4-(2,2-dimethylpropyl)-1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium
CID 177075119
5-butan-2-yl-2-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium
CID 167365769
1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium
CID 140944337
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)-6-(2-methylpropyl)isoquinolin-2-ium
CID 155638766
5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 155773460

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium?
The IUPAC name of 1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium (CID 177074930) is 1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium?
The canonical SMILES for 1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium is Cc1cc2c(cc1-c1ccc(C(C)C)c[n+]1C)CCC2.
What is the InChIKey of 1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium?
The InChIKey is NPAKBSCJEZJNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N/c1-13(2)17-8-9-19(20(4)12-17)18-11-16-7-5-6-15(16)10-14(18)3/h8-13H,5-7H2,1-4H3/q+1.
What are the key properties of 1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium?
1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium has a molecular weight of 266.41 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium is sourced from PubChem (CID 177074930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).