2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-1-hydroxy-3H-2,1-benzoxaborole;cumene;5-propan-2-yl-1,3-dihydro-2-benzofuran;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;bis(6-propan-2-yl-1,2,3,4-tetrahydronaphthalene);3-propan-2-yl-5,6,7,8-tetrahydroquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline

C161H222BN7O3 — CID 159230125

About 2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-1-hydroxy-3H-2,1-benzoxaborole;cumene;5-propan-2-yl-1,3-dihydro-2-benzofuran;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;bis(6-propan-2-yl-1,2,3,4-tetrahydronaphthalene);3-propan-2-yl-5,6,7,8-tetrahydroquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline

2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-1-hydroxy-3H-2,1-benzoxaborole;cumene;5-propan-2-yl-1,3-dihydro-2-benzofuran;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;bis(6-propan-2-yl-1,2,3,4-tetrahydronaphthalene);3-propan-2-yl-5,6,7,8-tetrahydroquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 159230125) has the molecular formula C161H222BN7O3 and a molecular weight of 2314.40 g/mol. Its IUPAC name is 2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-1-hydroxy-3H-2,1-benzoxaborole;cumene;5-propan-2-yl-1,3-dihydro-2-benzofuran;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;bis(6-propan-2-yl-1,2,3,4-tetrahydronaphthalene);3-propan-2-yl-5,6,7,8-tetrahydroquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

• Compound Name: 2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-1-hydroxy-3H-2,1-benzoxaborole;cumene;5-propan-2-yl-1,3-dihydro-2-benzofuran;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;bis(6-propan-2-yl-1,2,3,4-tetrahydronaphthalene);3-propan-2-yl-5,6,7,8-tetrahydroquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
• PubChem CID: 159230125
• Molecular Formula: C161H222BN7O3
• Molecular Weight: 2314.40 g/mol
• Exact Mass: 2312.75
• IUPAC Name: 2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-1-hydroxy-3H-2,1-benzoxaborole;cumene;5-propan-2-yl-1,3-dihydro-2-benzofuran;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;bis(6-propan-2-yl-1,2,3,4-tetrahydronaphthalene);3-propan-2-yl-5,6,7,8-tetrahydroquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
• SMILES: CC(C)(C)C1OB(O)c2ccccc21.CC(C)(C)N1CCc2ccccc2C1.CC(C)C1CCc2ccccc21.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CCNC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)COC2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cnc2c(c1)CCC2.CC(C)c1cnc2c(c1)CCCC2
• InChI: InChI=1S/C13H19N.2C13H18.4C12H17N.2C12H16.C11H15BO2.C11H15N.C11H14O.C9H12.C8H11N/c1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;2*1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;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)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-11(2,3)10-8-6-4-5-7-9(8)12(13)14-10;1-8(2)10-6-9-4-3-5-11(9)12-7-10;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8/h4-7H,8-10H2,1-3H3;2*7-10H,3-6H2,1-2H3;2*3-4,7,9,13H,5-6,8H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;4-7,10,13H,1-3H3;6-8H,3-5H2,1-2H3;3-5,8H,6-7H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3
• InChIKey: KSUGRBAVWGSPAT-UHFFFAOYSA-N
• XLogP: 40.10
• TPSA: 116.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2314.40
LogP ≤ 5	40.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-1-hydroxy-3H-2,1-benzoxaborole;cumene;5-propan-2-yl-1,3-dihydro-2-benzofuran;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;bis(6-propan-2-yl-1,2,3,4-tetrahydronaphthalene);3-propan-2-yl-5,6,7,8-tetrahydroquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?

The IUPAC name of 2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-1-hydroxy-3H-2,1-benzoxaborole;cumene;5-propan-2-yl-1,3-dihydro-2-benzofuran;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;bis(6-propan-2-yl-1,2,3,4-tetrahydronaphthalene);3-propan-2-yl-5,6,7,8-tetrahydroquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline (CID 159230125) is 2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-1-hydroxy-3H-2,1-benzoxaborole;cumene;5-propan-2-yl-1,3-dihydro-2-benzofuran;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;bis(6-propan-2-yl-1,2,3,4-tetrahydronaphthalene);3-propan-2-yl-5,6,7,8-tetrahydroquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline.

What is the SMILES notation for 2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-1-hydroxy-3H-2,1-benzoxaborole;cumene;5-propan-2-yl-1,3-dihydro-2-benzofuran;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;bis(6-propan-2-yl-1,2,3,4-tetrahydronaphthalene);3-propan-2-yl-5,6,7,8-tetrahydroquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?

The canonical SMILES for 2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-1-hydroxy-3H-2,1-benzoxaborole;cumene;5-propan-2-yl-1,3-dihydro-2-benzofuran;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;bis(6-propan-2-yl-1,2,3,4-tetrahydronaphthalene);3-propan-2-yl-5,6,7,8-tetrahydroquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline is CC(C)(C)C1OB(O)c2ccccc21.CC(C)(C)N1CCc2ccccc2C1.CC(C)C1CCc2ccccc21.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CCNC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)COC2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cnc2c(c1)CCC2.CC(C)c1cnc2c(c1)CCCC2.

What is the InChIKey of 2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-1-hydroxy-3H-2,1-benzoxaborole;cumene;5-propan-2-yl-1,3-dihydro-2-benzofuran;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;bis(6-propan-2-yl-1,2,3,4-tetrahydronaphthalene);3-propan-2-yl-5,6,7,8-tetrahydroquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?

The InChIKey is KSUGRBAVWGSPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.2C13H18.4C12H17N.2C12H16.C11H15BO2.C11H15N.C11H14O.C9H12.C8H11N/c1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;2*1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;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)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-11(2,3)10-8-6-4-5-7-9(8)12(13)14-10;1-8(2)10-6-9-4-3-5-11(9)12-7-10;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8/h4-7H,8-10H2,1-3H3;2*7-10H,3-6H2,1-2H3;2*3-4,7,9,13H,5-6,8H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;4-7,10,13H,1-3H3;6-8H,3-5H2,1-2H3;3-5,8H,6-7H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3.

What are the key properties of 2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-1-hydroxy-3H-2,1-benzoxaborole;cumene;5-propan-2-yl-1,3-dihydro-2-benzofuran;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;bis(6-propan-2-yl-1,2,3,4-tetrahydronaphthalene);3-propan-2-yl-5,6,7,8-tetrahydroquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?

2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-1-hydroxy-3H-2,1-benzoxaborole;cumene;5-propan-2-yl-1,3-dihydro-2-benzofuran;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;bis(6-propan-2-yl-1,2,3,4-tetrahydronaphthalene);3-propan-2-yl-5,6,7,8-tetrahydroquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 2314.40 g/mol, XLogP of 40.10, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-1-hydroxy-3H-2,1-benzoxaborole;cumene;5-propan-2-yl-1,3-dihydro-2-benzofuran;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;bis(6-propan-2-yl-1,2,3,4-tetrahydronaphthalene);3-propan-2-yl-5,6,7,8-tetrahydroquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 159230125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).