ethane;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium

C111H170N5+5 — CID 158481400

About ethane;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium

ethane;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium (PubChem CID 158481400) has the molecular formula C111H170N5+5 and a molecular weight of 1574.62 g/mol. Its IUPAC name is ethane;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium.

Molecular Properties

• Compound Name: ethane;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium
• PubChem CID: 158481400
• Molecular Formula: C111H170N5+5
• Molecular Weight: 1574.62 g/mol
• Exact Mass: 1573.34
• IUPAC Name: ethane;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c(-c2cccc[n+]2C)ccc2c1CCCC2.Cc1cc2c(cc1-c1cccc[n+]1C)CCCC2.Cc1cc2ccccc2cc1-c1cccc[n+]1C.Cc1ccc2c(c1-c1cccc[n+]1C)CCCC2.Cc1ccc2ccccc2c1-c1cccc[n+]1C
• InChI: InChI=1S/2C17H20N.C17H16N.C17H20N.C17H16N.13C2H6/c1-13-15-8-4-3-7-14(15)10-11-16(13)17-9-5-6-12-18(17)2;2*1-13-10-11-14-7-3-4-8-15(14)17(13)16-9-5-6-12-18(16)2;2*1-13-11-14-7-3-4-8-15(14)12-16(13)17-9-5-6-10-18(17)2;13*1-2/h2*5-6,9-12H,3-4,7-8H2,1-2H3;3-12H,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;3-12H,1-2H3;13*1-2H3/q5*+1
• InChIKey: QZPWPVJOANJQNE-UHFFFAOYSA-N
• XLogP: 30.72
• TPSA: 19.40 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1574.62
LogP ≤ 5	30.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium?

The IUPAC name of ethane;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium (CID 158481400) is ethane;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium.

What is the SMILES notation for ethane;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium?

The canonical SMILES for ethane;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c(-c2cccc[n+]2C)ccc2c1CCCC2.Cc1cc2c(cc1-c1cccc[n+]1C)CCCC2.Cc1cc2ccccc2cc1-c1cccc[n+]1C.Cc1ccc2c(c1-c1cccc[n+]1C)CCCC2.Cc1ccc2ccccc2c1-c1cccc[n+]1C.

What is the InChIKey of ethane;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium?

The InChIKey is QZPWPVJOANJQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H20N.C17H16N.C17H20N.C17H16N.13C2H6/c1-13-15-8-4-3-7-14(15)10-11-16(13)17-9-5-6-12-18(17)2;2*1-13-10-11-14-7-3-4-8-15(14)17(13)16-9-5-6-12-18(16)2;2*1-13-11-14-7-3-4-8-15(14)12-16(13)17-9-5-6-10-18(17)2;13*1-2/h2*5-6,9-12H,3-4,7-8H2,1-2H3;3-12H,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;3-12H,1-2H3;13*1-2H3/q5*+1;;;;;;;;;;;;;.

What are the key properties of ethane;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium?

ethane;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium has a molecular weight of 1574.62 g/mol, XLogP of 30.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium is sourced from PubChem (CID 158481400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).