6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline

C116H164N10O4 — CID 158240273

About 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline

6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline (PubChem CID 158240273) has the molecular formula C116H164N10O4 and a molecular weight of 1762.65 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

• Compound Name: 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline
• PubChem CID: 158240273
• Molecular Formula: C116H164N10O4
• Molecular Weight: 1762.65 g/mol
• Exact Mass: 1761.29
• IUPAC Name: 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline
• SMILES: CC(=O)N1CC2(CC2)c2ccc(C(C)(C)C)cc21.CC(=O)N1CCc2ccc(C(C)(C)C)cc21.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2c(c1)NCC2(C)C.CC(C)(C)c1ccc2c(c1)NCC21CC1.CC(C)(C)c1ccc2c(c1)NCCC2.CC(C)(C)c1ccc2c(c1)NCCC2(C)C.CNCC(=O)N(C)CC(=O)n1ccc2ccc(C(C)(C)C)cc21
• InChI: InChI=1S/C18H25N3O2.C16H21NO.C15H23N.C14H19NO.C14H19N.C14H21N.C13H19N.C12H17N/c1-18(2,3)14-7-6-13-8-9-21(15(13)10-14)17(23)12-20(5)16(22)11-19-4;1-11(18)17-10-16(7-8-16)13-6-5-12(9-14(13)17)15(2,3)4;1-14(2,3)11-6-7-12-13(10-11)16-9-8-15(12,4)5;1-10(16)15-8-7-11-5-6-12(9-13(11)15)14(2,3)4;1-13(2,3)10-4-5-11-12(8-10)15-9-14(11)6-7-14;1-13(2,3)10-6-7-11-12(8-10)15-9-14(11,4)5;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10/h6-10,19H,11-12H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;6-7,10,16H,8-9H2,1-5H3;5-6,9H,7-8H2,1-4H3;4-5,8,15H,6-7,9H2,1-3H3;6-8,15H,9H2,1-5H3;6-7,9,14H,4-5,8H2,1-3H3;4-5,8,13H,6-7H2,1-3H3
• InChIKey: GFLOGXIGOLZJPC-UHFFFAOYSA-N
• XLogP: 26.03
• TPSA: 155.11 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1762.65
LogP ≤ 5	26.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline?

The IUPAC name of 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline (CID 158240273) is 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline.

What is the SMILES notation for 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline?

The canonical SMILES for 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline is CC(=O)N1CC2(CC2)c2ccc(C(C)(C)C)cc21.CC(=O)N1CCc2ccc(C(C)(C)C)cc21.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2c(c1)NCC2(C)C.CC(C)(C)c1ccc2c(c1)NCC21CC1.CC(C)(C)c1ccc2c(c1)NCCC2.CC(C)(C)c1ccc2c(c1)NCCC2(C)C.CNCC(=O)N(C)CC(=O)n1ccc2ccc(C(C)(C)C)cc21.

What is the InChIKey of 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline?

The InChIKey is GFLOGXIGOLZJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.C16H21NO.C15H23N.C14H19NO.C14H19N.C14H21N.C13H19N.C12H17N/c1-18(2,3)14-7-6-13-8-9-21(15(13)10-14)17(23)12-20(5)16(22)11-19-4;1-11(18)17-10-16(7-8-16)13-6-5-12(9-14(13)17)15(2,3)4;1-14(2,3)11-6-7-12-13(10-11)16-9-8-15(12,4)5;1-10(16)15-8-7-11-5-6-12(9-13(11)15)14(2,3)4;1-13(2,3)10-4-5-11-12(8-10)15-9-14(11)6-7-14;1-13(2,3)10-6-7-11-12(8-10)15-9-14(11,4)5;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10/h6-10,19H,11-12H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;6-7,10,16H,8-9H2,1-5H3;5-6,9H,7-8H2,1-4H3;4-5,8,15H,6-7,9H2,1-3H3;6-8,15H,9H2,1-5H3;6-7,9,14H,4-5,8H2,1-3H3;4-5,8,13H,6-7H2,1-3H3.

What are the key properties of 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline?

6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 1762.65 g/mol, XLogP of 26.03, 4 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 158240273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).