1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,4-dimethyl-1,3-thiazole;methylcyclopentane;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,4,6-trimethylpyridine

C82H135N17O2S2 — CID 159485733

About 1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,4-dimethyl-1,3-thiazole;methylcyclopentane;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,4,6-trimethylpyridine

1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,4-dimethyl-1,3-thiazole;methylcyclopentane;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,4,6-trimethylpyridine (PubChem CID 159485733) has the molecular formula C82H135N17O2S2 and a molecular weight of 1455.23 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,4-dimethyl-1,3-thiazole;methylcyclopentane;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,4,6-trimethylpyridine.

Molecular Properties

• Compound Name: 1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,4-dimethyl-1,3-thiazole;methylcyclopentane;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,4,6-trimethylpyridine
• PubChem CID: 159485733
• Molecular Formula: C82H135N17O2S2
• Molecular Weight: 1455.23 g/mol
• Exact Mass: 1454.04
• IUPAC Name: 1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,4-dimethyl-1,3-thiazole;methylcyclopentane;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,4,6-trimethylpyridine
• SMILES: CC1CCC(C)CC1.CC1CCCC1.CN1CCCC1.CN1CCCCC1.CN1CCOCC1.Cc1cc(C)nc(C)c1.Cc1ccccn1.Cc1ccncc1.Cc1cn(C)cn1.Cc1cncn1C.Cc1csc(C)n1.Cc1ncc[nH]1.Cc1nccn1C.Cc1ncco1.Cc1nccs1
• InChI: InChI=1S/C8H11N.C8H16.C6H7N.C6H13N.C6H7N.C6H12.3C5H8N2.C5H11NO.C5H7NS.C5H11N.C4H6N2.C4H5NO.C4H5NS/c1-6-4-7(2)9-8(3)5-6;1-7-3-5-8(2)6-4-7;1-6-2-4-7-5-3-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-6-2-4-7-5-3-6;1-4-3-7-5(2)6-4;1-6-4-2-3-5-6;3*1-4-5-2-3-6-4/h4-5H,1-3H3;7-8H,3-6H2,1-2H3;2-5H,1H3;2-6H2,1H3;2-5H,1H3;6H,2-5H2,1H3;3*3-4H,1-2H3;2-5H2,1H3;3H,1-2H3;2-5H2,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3
• InChIKey: LXNZIQNBEMPGEJ-UHFFFAOYSA-N
• XLogP: 18.68
• TPSA: 191.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1455.23
LogP ≤ 5	18.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,4-dimethyl-1,3-thiazole;methylcyclopentane;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,4,6-trimethylpyridine?

The IUPAC name of 1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,4-dimethyl-1,3-thiazole;methylcyclopentane;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,4,6-trimethylpyridine (CID 159485733) is 1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,4-dimethyl-1,3-thiazole;methylcyclopentane;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,4,6-trimethylpyridine.

What is the SMILES notation for 1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,4-dimethyl-1,3-thiazole;methylcyclopentane;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,4,6-trimethylpyridine?

The canonical SMILES for 1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,4-dimethyl-1,3-thiazole;methylcyclopentane;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,4,6-trimethylpyridine is CC1CCC(C)CC1.CC1CCCC1.CN1CCCC1.CN1CCCCC1.CN1CCOCC1.Cc1cc(C)nc(C)c1.Cc1ccccn1.Cc1ccncc1.Cc1cn(C)cn1.Cc1cncn1C.Cc1csc(C)n1.Cc1ncc[nH]1.Cc1nccn1C.Cc1ncco1.Cc1nccs1.

What is the InChIKey of 1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,4-dimethyl-1,3-thiazole;methylcyclopentane;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,4,6-trimethylpyridine?

The InChIKey is LXNZIQNBEMPGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C8H16.C6H7N.C6H13N.C6H7N.C6H12.3C5H8N2.C5H11NO.C5H7NS.C5H11N.C4H6N2.C4H5NO.C4H5NS/c1-6-4-7(2)9-8(3)5-6;1-7-3-5-8(2)6-4-7;1-6-2-4-7-5-3-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-6-2-4-7-5-3-6;1-4-3-7-5(2)6-4;1-6-4-2-3-5-6;3*1-4-5-2-3-6-4/h4-5H,1-3H3;7-8H,3-6H2,1-2H3;2-5H,1H3;2-6H2,1H3;2-5H,1H3;6H,2-5H2,1H3;3*3-4H,1-2H3;2-5H2,1H3;3H,1-2H3;2-5H2,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3.

What are the key properties of 1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,4-dimethyl-1,3-thiazole;methylcyclopentane;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,4,6-trimethylpyridine?

1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,4-dimethyl-1,3-thiazole;methylcyclopentane;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,4,6-trimethylpyridine has a molecular weight of 1455.23 g/mol, XLogP of 18.68, 0 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;2,4-dimethyl-1,3-thiazole;methylcyclopentane;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,4,6-trimethylpyridine is sourced from PubChem (CID 159485733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).