1-ethyl-4-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methylsulfonyl-3-propan-2-ylbenzene;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole

C158H233N23O7S — CID 158581536

About 1-ethyl-4-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methylsulfonyl-3-propan-2-ylbenzene;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole

1-ethyl-4-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methylsulfonyl-3-propan-2-ylbenzene;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole (PubChem CID 158581536) has the molecular formula C158H233N23O7S and a molecular weight of 2598.82 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methylsulfonyl-3-propan-2-ylbenzene;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole.

Molecular Properties

• Compound Name: 1-ethyl-4-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methylsulfonyl-3-propan-2-ylbenzene;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole
• PubChem CID: 158581536
• Molecular Formula: C158H233N23O7S
• Molecular Weight: 2598.82 g/mol
• Exact Mass: 2596.83
• IUPAC Name: 1-ethyl-4-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methylsulfonyl-3-propan-2-ylbenzene;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole
• SMILES: CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1cccc2c1OCO2.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1ccnc(N2CCN(C)CC2)c1.CC(C)c1ccnc(N2CCNCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1ccncc1.CC(C)c1cn[nH]n1.CC(C)c1cnccn1.CC(C)c1ncccn1.CCc1ccc(C(C)C)cc1.COCCOc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cn1
• InChI: InChI=1S/C13H21N3.2C13H20N2.C12H19N3.C12H18N2O.C12H18O2.C11H16.C10H14O2S.C10H12O2.C9H13N.3C8H11N.2C7H10N2.C5H9N3/c1-11(2)12-4-5-14-13(10-12)16-8-6-15(3)7-9-16;2*1-11(2)12-6-7-14-13(10-12)15-8-4-3-5-9-15;1-10(2)11-3-4-14-12(9-11)15-7-5-13-6-8-15;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-10(2)11-5-4-6-12(9-11)14-8-7-13-3;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-4(2)5-3-6-8-7-5/h4-5,10-11H,6-9H2,1-3H3;2*6-7,10-11H,3-5,8-9H2,1-2H3;3-4,9-10,13H,5-8H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;4-6,9-10H,7-8H2,1-3H3;5-9H,4H2,1-3H3;4-8H,1-3H3;3-5,7H,6H2,1-2H3;4-7H,1-3H3;3*3-7H,1-2H3;2*3-6H,1-2H3;3-4H,1-2H3,(H,6,7,8)
• InChIKey: HTHSEUMQBNGQNH-UHFFFAOYSA-N
• XLogP: 36.22
• TPSA: 320.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2598.82
LogP ≤ 5	36.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methylsulfonyl-3-propan-2-ylbenzene;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole?

The IUPAC name of 1-ethyl-4-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methylsulfonyl-3-propan-2-ylbenzene;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole (CID 158581536) is 1-ethyl-4-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methylsulfonyl-3-propan-2-ylbenzene;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole.

What is the SMILES notation for 1-ethyl-4-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methylsulfonyl-3-propan-2-ylbenzene;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole?

The canonical SMILES for 1-ethyl-4-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methylsulfonyl-3-propan-2-ylbenzene;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole is CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1cccc2c1OCO2.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1ccnc(N2CCN(C)CC2)c1.CC(C)c1ccnc(N2CCNCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1ccncc1.CC(C)c1cn[nH]n1.CC(C)c1cnccn1.CC(C)c1ncccn1.CCc1ccc(C(C)C)cc1.COCCOc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cn1.

What is the InChIKey of 1-ethyl-4-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methylsulfonyl-3-propan-2-ylbenzene;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole?

The InChIKey is HTHSEUMQBNGQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.2C13H20N2.C12H19N3.C12H18N2O.C12H18O2.C11H16.C10H14O2S.C10H12O2.C9H13N.3C8H11N.2C7H10N2.C5H9N3/c1-11(2)12-4-5-14-13(10-12)16-8-6-15(3)7-9-16;2*1-11(2)12-6-7-14-13(10-12)15-8-4-3-5-9-15;1-10(2)11-3-4-14-12(9-11)15-7-5-13-6-8-15;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-10(2)11-5-4-6-12(9-11)14-8-7-13-3;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-4(2)5-3-6-8-7-5/h4-5,10-11H,6-9H2,1-3H3;2*6-7,10-11H,3-5,8-9H2,1-2H3;3-4,9-10,13H,5-8H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;4-6,9-10H,7-8H2,1-3H3;5-9H,4H2,1-3H3;4-8H,1-3H3;3-5,7H,6H2,1-2H3;4-7H,1-3H3;3*3-7H,1-2H3;2*3-6H,1-2H3;3-4H,1-2H3,(H,6,7,8).

What are the key properties of 1-ethyl-4-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methylsulfonyl-3-propan-2-ylbenzene;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole?

1-ethyl-4-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methylsulfonyl-3-propan-2-ylbenzene;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole has a molecular weight of 2598.82 g/mol, XLogP of 36.22, 27 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-4-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methylsulfonyl-3-propan-2-ylbenzene;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole is sourced from PubChem (CID 158581536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).