1,2-dimethyl-3-propan-2-ylindole;ethane;3-ethyl-1,2-dimethylindole;tris(3-ethyl-1H-indole);tris(3-ethyl-1-methylindole);3-ethyl-2-methyl-1H-indole;methoxymethane;1-methyl-3-propan-2-ylindole;tris(3-propan-2-yl-1H-indole)

C156H207N13O3 — CID 158728104

About 1,2-dimethyl-3-propan-2-ylindole;ethane;3-ethyl-1,2-dimethylindole;tris(3-ethyl-1H-indole);tris(3-ethyl-1-methylindole);3-ethyl-2-methyl-1H-indole;methoxymethane;1-methyl-3-propan-2-ylindole;tris(3-propan-2-yl-1H-indole)

1,2-dimethyl-3-propan-2-ylindole;ethane;3-ethyl-1,2-dimethylindole;tris(3-ethyl-1H-indole);tris(3-ethyl-1-methylindole);3-ethyl-2-methyl-1H-indole;methoxymethane;1-methyl-3-propan-2-ylindole;tris(3-propan-2-yl-1H-indole) (PubChem CID 158728104) has the molecular formula C156H207N13O3 and a molecular weight of 2312.46 g/mol. Its IUPAC name is 1,2-dimethyl-3-propan-2-ylindole;ethane;3-ethyl-1,2-dimethylindole;tris(3-ethyl-1H-indole);tris(3-ethyl-1-methylindole);3-ethyl-2-methyl-1H-indole;methoxymethane;1-methyl-3-propan-2-ylindole;tris(3-propan-2-yl-1H-indole).

Molecular Properties

• Compound Name: 1,2-dimethyl-3-propan-2-ylindole;ethane;3-ethyl-1,2-dimethylindole;tris(3-ethyl-1H-indole);tris(3-ethyl-1-methylindole);3-ethyl-2-methyl-1H-indole;methoxymethane;1-methyl-3-propan-2-ylindole;tris(3-propan-2-yl-1H-indole)
• PubChem CID: 158728104
• Molecular Formula: C156H207N13O3
• Molecular Weight: 2312.46 g/mol
• Exact Mass: 2310.64
• IUPAC Name: 1,2-dimethyl-3-propan-2-ylindole;ethane;3-ethyl-1,2-dimethylindole;tris(3-ethyl-1H-indole);tris(3-ethyl-1-methylindole);3-ethyl-2-methyl-1H-indole;methoxymethane;1-methyl-3-propan-2-ylindole;tris(3-propan-2-yl-1H-indole)
• SMILES: CC.CC.CC.CC(C)c1c[nH]c2ccccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cn(C)c2ccccc12.CCc1c(C)[nH]c2ccccc12.CCc1c(C)n(C)c2ccccc12.CCc1c[nH]c2ccccc12.CCc1c[nH]c2ccccc12.CCc1c[nH]c2ccccc12.CCc1cn(C)c2ccccc12.CCc1cn(C)c2ccccc12.CCc1cn(C)c2ccccc12.COC.COC.COC.Cc1c(C(C)C)c2ccccc2n1C
• InChI: InChI=1S/C13H17N.2C12H15N.7C11H13N.3C10H11N.3C2H6O.3C2H6/c1-9(2)13-10(3)14(4)12-8-6-5-7-11(12)13;1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-4-10-9(2)13(3)12-8-6-5-7-11(10)12;3*1-8(2)10-7-12-11-6-4-3-5-9(10)11;3*1-3-9-8-12(2)11-7-5-4-6-10(9)11;1-3-9-8(2)12-11-7-5-4-6-10(9)11;3*1-2-8-7-11-10-6-4-3-5-9(8)10;3*1-3-2;3*1-2/h5-9H,1-4H3;4-9H,1-3H3;5-8H,4H2,1-3H3;3*3-8,12H,1-2H3;3*4-8H,3H2,1-2H3;4-7,12H,3H2,1-2H3;3*3-7,11H,2H2,1H3;3*1-2H3;3*1-2H3
• InChIKey: IKTLAUHQVIXMAN-UHFFFAOYSA-N
• XLogP: 43.15
• TPSA: 167.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2312.46
LogP ≤ 5	43.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-propan-2-ylindole;ethane;3-ethyl-1,2-dimethylindole;tris(3-ethyl-1H-indole);tris(3-ethyl-1-methylindole);3-ethyl-2-methyl-1H-indole;methoxymethane;1-methyl-3-propan-2-ylindole;tris(3-propan-2-yl-1H-indole)?

The IUPAC name of 1,2-dimethyl-3-propan-2-ylindole;ethane;3-ethyl-1,2-dimethylindole;tris(3-ethyl-1H-indole);tris(3-ethyl-1-methylindole);3-ethyl-2-methyl-1H-indole;methoxymethane;1-methyl-3-propan-2-ylindole;tris(3-propan-2-yl-1H-indole) (CID 158728104) is 1,2-dimethyl-3-propan-2-ylindole;ethane;3-ethyl-1,2-dimethylindole;tris(3-ethyl-1H-indole);tris(3-ethyl-1-methylindole);3-ethyl-2-methyl-1H-indole;methoxymethane;1-methyl-3-propan-2-ylindole;tris(3-propan-2-yl-1H-indole).

What is the SMILES notation for 1,2-dimethyl-3-propan-2-ylindole;ethane;3-ethyl-1,2-dimethylindole;tris(3-ethyl-1H-indole);tris(3-ethyl-1-methylindole);3-ethyl-2-methyl-1H-indole;methoxymethane;1-methyl-3-propan-2-ylindole;tris(3-propan-2-yl-1H-indole)?

The canonical SMILES for 1,2-dimethyl-3-propan-2-ylindole;ethane;3-ethyl-1,2-dimethylindole;tris(3-ethyl-1H-indole);tris(3-ethyl-1-methylindole);3-ethyl-2-methyl-1H-indole;methoxymethane;1-methyl-3-propan-2-ylindole;tris(3-propan-2-yl-1H-indole) is CC.CC.CC.CC(C)c1c[nH]c2ccccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cn(C)c2ccccc12.CCc1c(C)[nH]c2ccccc12.CCc1c(C)n(C)c2ccccc12.CCc1c[nH]c2ccccc12.CCc1c[nH]c2ccccc12.CCc1c[nH]c2ccccc12.CCc1cn(C)c2ccccc12.CCc1cn(C)c2ccccc12.CCc1cn(C)c2ccccc12.COC.COC.COC.Cc1c(C(C)C)c2ccccc2n1C.

What is the InChIKey of 1,2-dimethyl-3-propan-2-ylindole;ethane;3-ethyl-1,2-dimethylindole;tris(3-ethyl-1H-indole);tris(3-ethyl-1-methylindole);3-ethyl-2-methyl-1H-indole;methoxymethane;1-methyl-3-propan-2-ylindole;tris(3-propan-2-yl-1H-indole)?

The InChIKey is IKTLAUHQVIXMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.2C12H15N.7C11H13N.3C10H11N.3C2H6O.3C2H6/c1-9(2)13-10(3)14(4)12-8-6-5-7-11(12)13;1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-4-10-9(2)13(3)12-8-6-5-7-11(10)12;3*1-8(2)10-7-12-11-6-4-3-5-9(10)11;3*1-3-9-8-12(2)11-7-5-4-6-10(9)11;1-3-9-8(2)12-11-7-5-4-6-10(9)11;3*1-2-8-7-11-10-6-4-3-5-9(8)10;3*1-3-2;3*1-2/h5-9H,1-4H3;4-9H,1-3H3;5-8H,4H2,1-3H3;3*3-8,12H,1-2H3;3*4-8H,3H2,1-2H3;4-7,12H,3H2,1-2H3;3*3-7,11H,2H2,1H3;3*1-2H3;3*1-2H3.

What are the key properties of 1,2-dimethyl-3-propan-2-ylindole;ethane;3-ethyl-1,2-dimethylindole;tris(3-ethyl-1H-indole);tris(3-ethyl-1-methylindole);3-ethyl-2-methyl-1H-indole;methoxymethane;1-methyl-3-propan-2-ylindole;tris(3-propan-2-yl-1H-indole)?

1,2-dimethyl-3-propan-2-ylindole;ethane;3-ethyl-1,2-dimethylindole;tris(3-ethyl-1H-indole);tris(3-ethyl-1-methylindole);3-ethyl-2-methyl-1H-indole;methoxymethane;1-methyl-3-propan-2-ylindole;tris(3-propan-2-yl-1H-indole) has a molecular weight of 2312.46 g/mol, XLogP of 43.15, 13 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethyl-3-propan-2-ylindole;ethane;3-ethyl-1,2-dimethylindole;tris(3-ethyl-1H-indole);tris(3-ethyl-1-methylindole);3-ethyl-2-methyl-1H-indole;methoxymethane;1-methyl-3-propan-2-ylindole;tris(3-propan-2-yl-1H-indole) is sourced from PubChem (CID 158728104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).