3,3-dimethylbutylsulfonylbenzene;5-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;6-(2,2-dimethylpropyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;3-(2,2-dimethylpropyl)pyridine

C91H139N9O4S — CID 163413788

About 3,3-dimethylbutylsulfonylbenzene;5-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;6-(2,2-dimethylpropyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;3-(2,2-dimethylpropyl)pyridine

3,3-dimethylbutylsulfonylbenzene;5-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;6-(2,2-dimethylpropyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;3-(2,2-dimethylpropyl)pyridine (PubChem CID 163413788) has the molecular formula C91H139N9O4S and a molecular weight of 1455.24 g/mol. Its IUPAC name is 3,3-dimethylbutylsulfonylbenzene;5-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;6-(2,2-dimethylpropyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;3-(2,2-dimethylpropyl)pyridine.

Molecular Properties

• Compound Name: 3,3-dimethylbutylsulfonylbenzene;5-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;6-(2,2-dimethylpropyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;3-(2,2-dimethylpropyl)pyridine
• PubChem CID: 163413788
• Molecular Formula: C91H139N9O4S
• Molecular Weight: 1455.24 g/mol
• Exact Mass: 1454.07
• IUPAC Name: 3,3-dimethylbutylsulfonylbenzene;5-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;6-(2,2-dimethylpropyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;3-(2,2-dimethylpropyl)pyridine
• SMILES: CC(C)(C)CCS(=O)(=O)c1ccccc1.CC(C)(C)Cc1cccnc1.CN(C)c1ccc(CC(C)(C)C)cn1.COc1ccc(CC(C)(C)C)cn1.COc1ccc(CC(C)(C)C)nc1.Cc1cccc(CC(C)(C)C)n1.Cc1cccnc1CC(C)(C)C.Cn1cnc2ccc(CC(C)(C)C)cc21
• InChI: InChI=1S/C13H18N2.C12H20N2.C12H18O2S.2C11H17NO.2C11H17N.C10H15N/c1-13(2,3)8-10-5-6-11-12(7-10)15(4)9-14-11;1-12(2,3)8-10-6-7-11(13-9-10)14(4)5;1-12(2,3)9-10-15(13,14)11-7-5-4-6-8-11;1-11(2,3)7-9-5-6-10(13-4)8-12-9;1-11(2,3)7-9-5-6-10(13-4)12-8-9;1-9-6-5-7-12-10(9)8-11(2,3)4;1-9-6-5-7-10(12-9)8-11(2,3)4;1-10(2,3)7-9-5-4-6-11-8-9/h5-7,9H,8H2,1-4H3;6-7,9H,8H2,1-5H3;4-8H,9-10H2,1-3H3;2*5-6,8H,7H2,1-4H3;2*5-7H,8H2,1-4H3;4-6,8H,7H2,1-3H3
• InChIKey: ACRPULCGILTFPV-UHFFFAOYSA-N
• XLogP: 22.78
• TPSA: 151.00 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1455.24
LogP ≤ 5	22.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutylsulfonylbenzene;5-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;6-(2,2-dimethylpropyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;3-(2,2-dimethylpropyl)pyridine?

The IUPAC name of 3,3-dimethylbutylsulfonylbenzene;5-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;6-(2,2-dimethylpropyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;3-(2,2-dimethylpropyl)pyridine (CID 163413788) is 3,3-dimethylbutylsulfonylbenzene;5-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;6-(2,2-dimethylpropyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;3-(2,2-dimethylpropyl)pyridine.

What is the SMILES notation for 3,3-dimethylbutylsulfonylbenzene;5-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;6-(2,2-dimethylpropyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;3-(2,2-dimethylpropyl)pyridine?

The canonical SMILES for 3,3-dimethylbutylsulfonylbenzene;5-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;6-(2,2-dimethylpropyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;3-(2,2-dimethylpropyl)pyridine is CC(C)(C)CCS(=O)(=O)c1ccccc1.CC(C)(C)Cc1cccnc1.CN(C)c1ccc(CC(C)(C)C)cn1.COc1ccc(CC(C)(C)C)cn1.COc1ccc(CC(C)(C)C)nc1.Cc1cccc(CC(C)(C)C)n1.Cc1cccnc1CC(C)(C)C.Cn1cnc2ccc(CC(C)(C)C)cc21.

What is the InChIKey of 3,3-dimethylbutylsulfonylbenzene;5-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;6-(2,2-dimethylpropyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;3-(2,2-dimethylpropyl)pyridine?

The InChIKey is ACRPULCGILTFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.C12H20N2.C12H18O2S.2C11H17NO.2C11H17N.C10H15N/c1-13(2,3)8-10-5-6-11-12(7-10)15(4)9-14-11;1-12(2,3)8-10-6-7-11(13-9-10)14(4)5;1-12(2,3)9-10-15(13,14)11-7-5-4-6-8-11;1-11(2,3)7-9-5-6-10(13-4)8-12-9;1-11(2,3)7-9-5-6-10(13-4)12-8-9;1-9-6-5-7-12-10(9)8-11(2,3)4;1-9-6-5-7-10(12-9)8-11(2,3)4;1-10(2,3)7-9-5-4-6-11-8-9/h5-7,9H,8H2,1-4H3;6-7,9H,8H2,1-5H3;4-8H,9-10H2,1-3H3;2*5-6,8H,7H2,1-4H3;2*5-7H,8H2,1-4H3;4-6,8H,7H2,1-3H3.

What are the key properties of 3,3-dimethylbutylsulfonylbenzene;5-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;6-(2,2-dimethylpropyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;3-(2,2-dimethylpropyl)pyridine?

3,3-dimethylbutylsulfonylbenzene;5-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;6-(2,2-dimethylpropyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;3-(2,2-dimethylpropyl)pyridine has a molecular weight of 1455.24 g/mol, XLogP of 22.78, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethylbutylsulfonylbenzene;5-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;6-(2,2-dimethylpropyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;3-(2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 163413788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).