3,3-dimethyl-6-propan-2-yl-1,2-dihydroindene;3,3-dimethyl-5-propan-2-yl-1,2-dihydroindole;3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;bis(6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinazoline

C121H166N8O3 — CID 158233956

About 3,3-dimethyl-6-propan-2-yl-1,2-dihydroindene;3,3-dimethyl-5-propan-2-yl-1,2-dihydroindole;3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;bis(6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinazoline

3,3-dimethyl-6-propan-2-yl-1,2-dihydroindene;3,3-dimethyl-5-propan-2-yl-1,2-dihydroindole;3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;bis(6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinazoline (PubChem CID 158233956) has the molecular formula C121H166N8O3 and a molecular weight of 1780.71 g/mol. Its IUPAC name is 3,3-dimethyl-6-propan-2-yl-1,2-dihydroindene;3,3-dimethyl-5-propan-2-yl-1,2-dihydroindole;3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;bis(6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinazoline.

Molecular Properties

• Compound Name: 3,3-dimethyl-6-propan-2-yl-1,2-dihydroindene;3,3-dimethyl-5-propan-2-yl-1,2-dihydroindole;3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;bis(6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinazoline
• PubChem CID: 158233956
• Molecular Formula: C121H166N8O3
• Molecular Weight: 1780.71 g/mol
• Exact Mass: 1779.31
• IUPAC Name: 3,3-dimethyl-6-propan-2-yl-1,2-dihydroindene;3,3-dimethyl-5-propan-2-yl-1,2-dihydroindole;3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;bis(6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinazoline
• SMILES: CC(C)c1ccc2c(c1)C(C)(C)C(=O)N2.CC(C)c1ccc2c(c1)C(C)(C)CN2.CC(C)c1ccc2c(c1)CC(=O)O2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2(C)C.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)CCNC2.CC(C)c1ccc2c(c1)CCNC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)CNCN2
• InChI: InChI=1S/C14H20.C13H17NO.C13H19N.3C12H17N.C12H16.C11H16N2.C11H15N.C11H12O2/c1-10(2)11-5-6-13-12(9-11)7-8-14(13,3)4;1-8(2)9-5-6-11-10(7-9)13(3,4)12(15)14-11;1-9(2)10-5-6-12-11(7-10)13(3,4)8-14-12;2*1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-10-9(5-8)6-11(12)13-10/h5-6,9-10H,7-8H2,1-4H3;5-8H,1-4H3,(H,14,15);5-7,9,14H,8H2,1-4H3;3*3-4,7,9,13H,5-6,8H2,1-2H3;6-9H,3-5H2,1-2H3;3-5,8,12-13H,6-7H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3
• InChIKey: GESPLSJYZLBELP-UHFFFAOYSA-N
• XLogP: 28.58
• TPSA: 139.61 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1780.71
LogP ≤ 5	28.58
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-propan-2-yl-1,2-dihydroindene;3,3-dimethyl-5-propan-2-yl-1,2-dihydroindole;3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;bis(6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinazoline?

The IUPAC name of 3,3-dimethyl-6-propan-2-yl-1,2-dihydroindene;3,3-dimethyl-5-propan-2-yl-1,2-dihydroindole;3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;bis(6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinazoline (CID 158233956) is 3,3-dimethyl-6-propan-2-yl-1,2-dihydroindene;3,3-dimethyl-5-propan-2-yl-1,2-dihydroindole;3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;bis(6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinazoline.

What is the SMILES notation for 3,3-dimethyl-6-propan-2-yl-1,2-dihydroindene;3,3-dimethyl-5-propan-2-yl-1,2-dihydroindole;3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;bis(6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinazoline?

The canonical SMILES for 3,3-dimethyl-6-propan-2-yl-1,2-dihydroindene;3,3-dimethyl-5-propan-2-yl-1,2-dihydroindole;3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;bis(6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinazoline is CC(C)c1ccc2c(c1)C(C)(C)C(=O)N2.CC(C)c1ccc2c(c1)C(C)(C)CN2.CC(C)c1ccc2c(c1)CC(=O)O2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2(C)C.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)CCNC2.CC(C)c1ccc2c(c1)CCNC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)CNCN2.

What is the InChIKey of 3,3-dimethyl-6-propan-2-yl-1,2-dihydroindene;3,3-dimethyl-5-propan-2-yl-1,2-dihydroindole;3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;bis(6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinazoline?

The InChIKey is GESPLSJYZLBELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.C13H17NO.C13H19N.3C12H17N.C12H16.C11H16N2.C11H15N.C11H12O2/c1-10(2)11-5-6-13-12(9-11)7-8-14(13,3)4;1-8(2)9-5-6-11-10(7-9)13(3,4)12(15)14-11;1-9(2)10-5-6-12-11(7-10)13(3,4)8-14-12;2*1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-10-9(5-8)6-11(12)13-10/h5-6,9-10H,7-8H2,1-4H3;5-8H,1-4H3,(H,14,15);5-7,9,14H,8H2,1-4H3;3*3-4,7,9,13H,5-6,8H2,1-2H3;6-9H,3-5H2,1-2H3;3-5,8,12-13H,6-7H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3.

What are the key properties of 3,3-dimethyl-6-propan-2-yl-1,2-dihydroindene;3,3-dimethyl-5-propan-2-yl-1,2-dihydroindole;3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;bis(6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinazoline?

3,3-dimethyl-6-propan-2-yl-1,2-dihydroindene;3,3-dimethyl-5-propan-2-yl-1,2-dihydroindole;3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;bis(6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinazoline has a molecular weight of 1780.71 g/mol, XLogP of 28.58, 10 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-6-propan-2-yl-1,2-dihydroindene;3,3-dimethyl-5-propan-2-yl-1,2-dihydroindole;3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;bis(6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinazoline is sourced from PubChem (CID 158233956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).