6-ethyl-2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-yl-3-propan-2-yloxypyridine;2-methoxy-6-propan-2-ylpyridine;5-(4-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-6-propan-2-yl-3-propan-2-yloxypyridine;3-methyl-5-propan-2-yl-2-propan-2-yloxypyridine;5-methyl-2-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1-benzofuran;2-propan-2-ylnaphthalene;2-propan-2-yl-5-pyrrolidin-1-ylpyridine
C140H195N13O8 — CID 160856612
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-ethyl-2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-yl-3-propan-2-yloxypyridine;2-methoxy-6-propan-2-ylpyridine;5-(4-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-6-propan-2-yl-3-propan-2-yloxypyridine;3-methyl-5-propan-2-yl-2-propan-2-yloxypyridine;5-methyl-2-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1-benzofuran;2-propan-2-ylnaphthalene;2-propan-2-yl-5-pyrrolidin-1-ylpyridine
SMILESCC(C)c1cc(-c2ccccc2)nn1C.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(N2CCCC2)cn1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc2ccccc2c1.CCc1ccc(C(C)C)c(OC)n1.COc1cccc(C(C)C)n1.COc1nc(C(C)C)ccc1OC(C)C.Cc1cc(C(C)C)cnc1OC(C)C.Cc1ccc(-c2cc(C(C)C)no2)cc1.Cc1ccc(C(C)C)nc1.Cc1nc(C(C)C)ccc1OC(C)C
InChIInChI=1S/C13H16N2.C13H20N2.C13H15NO.C13H14.C12H18N2.C12H19NO2.2C12H19NO.C11H17NO.C11H12O.C9H13NO.C9H13N/c1-10(2)13-9-12(14-15(13)3)11-7-5-4-6-8-11;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-9(2)12-8-13(15-14-12)11-6-4-10(3)5-7-11;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-10(2)12-6-5-11(9-13-12)14-7-3-4-8-14;1-8(2)10-6-7-11(15-9(3)4)12(13-10)14-5;1-8(2)11-6-10(5)12(13-7-11)14-9(3)4;1-8(2)11-6-7-12(10(5)13-11)14-9(3)4;1-5-9-6-7-10(8(2)3)11(12-9)13-4;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-5-4-8(3)6-10-9/h4-10H,1-3H3;6-7,10-11H,3-5,8-9H2,1-2H3;4-9H,1-3H3;3-10H,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;6-9H,1-5H3;2*6-9H,1-5H3;6-8H,5H2,1-4H3;3-8H,1-2H3;4-7H,1-3H3;4-7H,1-3H3
InChIKeySJYCTMVDUQJIRB-UHFFFAOYSA-N
MW2188.18 g/mol
LogP37.61
Rot. Bonds26
About 6-ethyl-2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-yl-3-propan-2-yloxypyridine;2-methoxy-6-propan-2-ylpyridine;5-(4-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-6-propan-2-yl-3-propan-2-yloxypyridine;3-methyl-5-propan-2-yl-2-propan-2-yloxypyridine;5-methyl-2-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1-benzofuran;2-propan-2-ylnaphthalene;2-propan-2-yl-5-pyrrolidin-1-ylpyridine
6-ethyl-2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-yl-3-propan-2-yloxypyridine;2-methoxy-6-propan-2-ylpyridine;5-(4-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-6-propan-2-yl-3-propan-2-yloxypyridine;3-methyl-5-propan-2-yl-2-propan-2-yloxypyridine;5-methyl-2-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1-benzofuran;2-propan-2-ylnaphthalene;2-propan-2-yl-5-pyrrolidin-1-ylpyridine (PubChem CID 160856612) has the molecular formula C140H195N13O8 and a molecular weight of 2188.18 g/mol. Its IUPAC name is 6-ethyl-2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-yl-3-propan-2-yloxypyridine;2-methoxy-6-propan-2-ylpyridine;5-(4-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-6-propan-2-yl-3-propan-2-yloxypyridine;3-methyl-5-propan-2-yl-2-propan-2-yloxypyridine;5-methyl-2-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1-benzofuran;2-propan-2-ylnaphthalene;2-propan-2-yl-5-pyrrolidin-1-ylpyridine.
Molecular Properties
| Compound Name | 6-ethyl-2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-yl-3-propan-2-yloxypyridine;2-methoxy-6-propan-2-ylpyridine;5-(4-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-6-propan-2-yl-3-propan-2-yloxypyridine;3-methyl-5-propan-2-yl-2-propan-2-yloxypyridine;5-methyl-2-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1-benzofuran;2-propan-2-ylnaphthalene;2-propan-2-yl-5-pyrrolidin-1-ylpyridine |
|---|---|
| PubChem CID | 160856612 |
| Molecular Formula | C140H195N13O8 |
| Molecular Weight | 2188.18 g/mol |
| Exact Mass | 2186.53 |
| IUPAC Name | 6-ethyl-2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-yl-3-propan-2-yloxypyridine;2-methoxy-6-propan-2-ylpyridine;5-(4-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-6-propan-2-yl-3-propan-2-yloxypyridine;3-methyl-5-propan-2-yl-2-propan-2-yloxypyridine;5-methyl-2-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1-benzofuran;2-propan-2-ylnaphthalene;2-propan-2-yl-5-pyrrolidin-1-ylpyridine |
| SMILES | CC(C)c1cc(-c2ccccc2)nn1C.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(N2CCCC2)cn1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc2ccccc2c1.CCc1ccc(C(C)C)c(OC)n1.COc1cccc(C(C)C)n1.COc1nc(C(C)C)ccc1OC(C)C.Cc1cc(C(C)C)cnc1OC(C)C.Cc1ccc(-c2cc(C(C)C)no2)cc1.Cc1ccc(C(C)C)nc1.Cc1nc(C(C)C)ccc1OC(C)C |
| InChI | InChI=1S/C13H16N2.C13H20N2.C13H15NO.C13H14.C12H18N2.C12H19NO2.2C12H19NO.C11H17NO.C11H12O.C9H13NO.C9H13N/c1-10(2)13-9-12(14-15(13)3)11-7-5-4-6-8-11;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-9(2)12-8-13(15-14-12)11-6-4-10(3)5-7-11;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-10(2)12-6-5-11(9-13-12)14-7-3-4-8-14;1-8(2)10-6-7-11(15-9(3)4)12(13-10)14-5;1-8(2)11-6-10(5)12(13-7-11)14-9(3)4;1-8(2)11-6-7-12(10(5)13-11)14-9(3)4;1-5-9-6-7-10(8(2)3)11(12-9)13-4;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-5-4-8(3)6-10-9/h4-10H,1-3H3;6-7,10-11H,3-5,8-9H2,1-2H3;4-9H,1-3H3;3-10H,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;6-9H,1-5H3;2*6-9H,1-5H3;6-8H,5H2,1-4H3;3-8H,1-2H3;4-7H,1-3H3;4-7H,1-3H3 |
| InChIKey | SJYCTMVDUQJIRB-UHFFFAOYSA-N |
| XLogP | 37.61 |
| TPSA | 221.97 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 161 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2188.18 |
| LogP ≤ 5 | 37.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |
Frequently Asked Questions
What is the IUPAC name of 6-ethyl-2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-yl-3-propan-2-yloxypyridine;2-methoxy-6-propan-2-ylpyridine;5-(4-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-6-propan-2-yl-3-propan-2-yloxypyridine;3-methyl-5-propan-2-yl-2-propan-2-yloxypyridine;5-methyl-2-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1-benzofuran;2-propan-2-ylnaphthalene;2-propan-2-yl-5-pyrrolidin-1-ylpyridine?
The IUPAC name of 6-ethyl-2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-yl-3-propan-2-yloxypyridine;2-methoxy-6-propan-2-ylpyridine;5-(4-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-6-propan-2-yl-3-propan-2-yloxypyridine;3-methyl-5-propan-2-yl-2-propan-2-yloxypyridine;5-methyl-2-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1-benzofuran;2-propan-2-ylnaphthalene;2-propan-2-yl-5-pyrrolidin-1-ylpyridine (CID 160856612) is 6-ethyl-2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-yl-3-propan-2-yloxypyridine;2-methoxy-6-propan-2-ylpyridine;5-(4-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-6-propan-2-yl-3-propan-2-yloxypyridine;3-methyl-5-propan-2-yl-2-propan-2-yloxypyridine;5-methyl-2-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1-benzofuran;2-propan-2-ylnaphthalene;2-propan-2-yl-5-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 6-ethyl-2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-yl-3-propan-2-yloxypyridine;2-methoxy-6-propan-2-ylpyridine;5-(4-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-6-propan-2-yl-3-propan-2-yloxypyridine;3-methyl-5-propan-2-yl-2-propan-2-yloxypyridine;5-methyl-2-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1-benzofuran;2-propan-2-ylnaphthalene;2-propan-2-yl-5-pyrrolidin-1-ylpyridine?
The canonical SMILES for 6-ethyl-2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-yl-3-propan-2-yloxypyridine;2-methoxy-6-propan-2-ylpyridine;5-(4-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-6-propan-2-yl-3-propan-2-yloxypyridine;3-methyl-5-propan-2-yl-2-propan-2-yloxypyridine;5-methyl-2-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1-benzofuran;2-propan-2-ylnaphthalene;2-propan-2-yl-5-pyrrolidin-1-ylpyridine is CC(C)c1cc(-c2ccccc2)nn1C.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(N2CCCC2)cn1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc2ccccc2c1.CCc1ccc(C(C)C)c(OC)n1.COc1cccc(C(C)C)n1.COc1nc(C(C)C)ccc1OC(C)C.Cc1cc(C(C)C)cnc1OC(C)C.Cc1ccc(-c2cc(C(C)C)no2)cc1.Cc1ccc(C(C)C)nc1.Cc1nc(C(C)C)ccc1OC(C)C.
What is the InChIKey of 6-ethyl-2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-yl-3-propan-2-yloxypyridine;2-methoxy-6-propan-2-ylpyridine;5-(4-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-6-propan-2-yl-3-propan-2-yloxypyridine;3-methyl-5-propan-2-yl-2-propan-2-yloxypyridine;5-methyl-2-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1-benzofuran;2-propan-2-ylnaphthalene;2-propan-2-yl-5-pyrrolidin-1-ylpyridine?
The InChIKey is SJYCTMVDUQJIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C13H20N2.C13H15NO.C13H14.C12H18N2.C12H19NO2.2C12H19NO.C11H17NO.C11H12O.C9H13NO.C9H13N/c1-10(2)13-9-12(14-15(13)3)11-7-5-4-6-8-11;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-9(2)12-8-13(15-14-12)11-6-4-10(3)5-7-11;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-10(2)12-6-5-11(9-13-12)14-7-3-4-8-14;1-8(2)10-6-7-11(15-9(3)4)12(13-10)14-5;1-8(2)11-6-10(5)12(13-7-11)14-9(3)4;1-8(2)11-6-7-12(10(5)13-11)14-9(3)4;1-5-9-6-7-10(8(2)3)11(12-9)13-4;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-5-4-8(3)6-10-9/h4-10H,1-3H3;6-7,10-11H,3-5,8-9H2,1-2H3;4-9H,1-3H3;3-10H,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;6-9H,1-5H3;2*6-9H,1-5H3;6-8H,5H2,1-4H3;3-8H,1-2H3;4-7H,1-3H3;4-7H,1-3H3.
What are the key properties of 6-ethyl-2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-yl-3-propan-2-yloxypyridine;2-methoxy-6-propan-2-ylpyridine;5-(4-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-6-propan-2-yl-3-propan-2-yloxypyridine;3-methyl-5-propan-2-yl-2-propan-2-yloxypyridine;5-methyl-2-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1-benzofuran;2-propan-2-ylnaphthalene;2-propan-2-yl-5-pyrrolidin-1-ylpyridine?
6-ethyl-2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-yl-3-propan-2-yloxypyridine;2-methoxy-6-propan-2-ylpyridine;5-(4-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-6-propan-2-yl-3-propan-2-yloxypyridine;3-methyl-5-propan-2-yl-2-propan-2-yloxypyridine;5-methyl-2-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1-benzofuran;2-propan-2-ylnaphthalene;2-propan-2-yl-5-pyrrolidin-1-ylpyridine has a molecular weight of 2188.18 g/mol, XLogP of 37.61, 26 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-yl-3-propan-2-yloxypyridine;2-methoxy-6-propan-2-ylpyridine;5-(4-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-6-propan-2-yl-3-propan-2-yloxypyridine;3-methyl-5-propan-2-yl-2-propan-2-yloxypyridine;5-methyl-2-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1-benzofuran;2-propan-2-ylnaphthalene;2-propan-2-yl-5-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 160856612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 160856612 — identifiers, structure, computed properties (public domain)
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