2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-ol;bis(2-cyclopropyl-4,4,6-trimethyl-1,3-dihydroisoquinoline);2,5-dimethylpyridine;6-hydroxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;6-methyl-2,3-dihydroinden-1-one;3,3,5-trimethyl-1,2-dihydroindene;4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline;4,4,6-trimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;4,4,6-trimethyl-2,3-dihydroisoquinolin-1-one;3,3,5-trimethyl-2H-inden-1-one

C134H174N8O7 — CID 159987644

About 2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-ol;bis(2-cyclopropyl-4,4,6-trimethyl-1,3-dihydroisoquinoline);2,5-dimethylpyridine;6-hydroxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;6-methyl-2,3-dihydroinden-1-one;3,3,5-trimethyl-1,2-dihydroindene;4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline;4,4,6-trimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;4,4,6-trimethyl-2,3-dihydroisoquinolin-1-one;3,3,5-trimethyl-2H-inden-1-one

2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-ol;bis(2-cyclopropyl-4,4,6-trimethyl-1,3-dihydroisoquinoline);2,5-dimethylpyridine;6-hydroxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;6-methyl-2,3-dihydroinden-1-one;3,3,5-trimethyl-1,2-dihydroindene;4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline;4,4,6-trimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;4,4,6-trimethyl-2,3-dihydroisoquinolin-1-one;3,3,5-trimethyl-2H-inden-1-one (PubChem CID 159987644) has the molecular formula C134H174N8O7 and a molecular weight of 2008.91 g/mol. Its IUPAC name is 2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-ol;bis(2-cyclopropyl-4,4,6-trimethyl-1,3-dihydroisoquinoline);2,5-dimethylpyridine;6-hydroxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;6-methyl-2,3-dihydroinden-1-one;3,3,5-trimethyl-1,2-dihydroindene;4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline;4,4,6-trimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;4,4,6-trimethyl-2,3-dihydroisoquinolin-1-one;3,3,5-trimethyl-2H-inden-1-one.

Molecular Properties

• Compound Name: 2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-ol;bis(2-cyclopropyl-4,4,6-trimethyl-1,3-dihydroisoquinoline);2,5-dimethylpyridine;6-hydroxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;6-methyl-2,3-dihydroinden-1-one;3,3,5-trimethyl-1,2-dihydroindene;4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline;4,4,6-trimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;4,4,6-trimethyl-2,3-dihydroisoquinolin-1-one;3,3,5-trimethyl-2H-inden-1-one
• PubChem CID: 159987644
• Molecular Formula: C134H174N8O7
• Molecular Weight: 2008.91 g/mol
• Exact Mass: 2007.35
• IUPAC Name: 2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-ol;bis(2-cyclopropyl-4,4,6-trimethyl-1,3-dihydroisoquinoline);2,5-dimethylpyridine;6-hydroxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;6-methyl-2,3-dihydroinden-1-one;3,3,5-trimethyl-1,2-dihydroindene;4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline;4,4,6-trimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;4,4,6-trimethyl-2,3-dihydroisoquinolin-1-one;3,3,5-trimethyl-2H-inden-1-one
• SMILES: CC1(C)CN(C2CC2)Cc2ccc(O)cc21.CC1(C)CN(C=O)Cc2ccc(O)cc21.Cc1ccc(C)nc1.Cc1ccc2c(c1)C(=O)CC2.Cc1ccc2c(c1)C(C)(C)CC2.Cc1ccc2c(c1)C(C)(C)CC2=O.Cc1ccc2c(c1)C(C)(C)CN(C1CC1)C2.Cc1ccc2c(c1)C(C)(C)CN(C1CC1)C2.Cc1ccc2c(c1)C(C)(C)CN(C=O)C2.Cc1ccc2c(c1)C(C)(C)CNC2.Cc1ccc2c(c1)C(C)(C)CNC2=O
• InChI: InChI=1S/2C15H21N.C14H19NO.C13H17NO.C12H15NO2.C12H15NO.C12H17N.C12H14O.C12H16.C10H10O.C7H9N/c2*1-11-4-5-12-9-16(13-6-7-13)10-15(2,3)14(12)8-11;1-14(2)9-15(11-4-5-11)8-10-3-6-12(16)7-13(10)14;1-10-4-5-11-7-14(9-15)8-13(2,3)12(11)6-10;1-12(2)7-13(8-14)6-9-3-4-10(15)5-11(9)12;1-8-4-5-9-10(6-8)12(2,3)7-13-11(9)14;1-9-4-5-10-7-13-8-12(2,3)11(10)6-9;1-8-4-5-9-10(6-8)12(2,3)7-11(9)13;1-9-4-5-10-6-7-12(2,3)11(10)8-9;1-7-2-3-8-4-5-10(11)9(8)6-7;1-6-3-4-7(2)8-5-6/h2*4-5,8,13H,6-7,9-10H2,1-3H3;3,6-7,11,16H,4-5,8-9H2,1-2H3;4-6,9H,7-8H2,1-3H3;3-5,8,15H,6-7H2,1-2H3;4-6H,7H2,1-3H3,(H,13,14);4-6,13H,7-8H2,1-3H3;4-6H,7H2,1-3H3;4-5,8H,6-7H2,1-3H3;2-3,6H,4-5H2,1H3;3-5H,1-2H3
• InChIKey: OGNRDBWMTFAXEL-UHFFFAOYSA-N
• XLogP: 27.33
• TPSA: 178.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2008.91
LogP ≤ 5	27.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-ol;bis(2-cyclopropyl-4,4,6-trimethyl-1,3-dihydroisoquinoline);2,5-dimethylpyridine;6-hydroxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;6-methyl-2,3-dihydroinden-1-one;3,3,5-trimethyl-1,2-dihydroindene;4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline;4,4,6-trimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;4,4,6-trimethyl-2,3-dihydroisoquinolin-1-one;3,3,5-trimethyl-2H-inden-1-one?

The IUPAC name of 2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-ol;bis(2-cyclopropyl-4,4,6-trimethyl-1,3-dihydroisoquinoline);2,5-dimethylpyridine;6-hydroxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;6-methyl-2,3-dihydroinden-1-one;3,3,5-trimethyl-1,2-dihydroindene;4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline;4,4,6-trimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;4,4,6-trimethyl-2,3-dihydroisoquinolin-1-one;3,3,5-trimethyl-2H-inden-1-one (CID 159987644) is 2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-ol;bis(2-cyclopropyl-4,4,6-trimethyl-1,3-dihydroisoquinoline);2,5-dimethylpyridine;6-hydroxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;6-methyl-2,3-dihydroinden-1-one;3,3,5-trimethyl-1,2-dihydroindene;4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline;4,4,6-trimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;4,4,6-trimethyl-2,3-dihydroisoquinolin-1-one;3,3,5-trimethyl-2H-inden-1-one.

What is the SMILES notation for 2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-ol;bis(2-cyclopropyl-4,4,6-trimethyl-1,3-dihydroisoquinoline);2,5-dimethylpyridine;6-hydroxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;6-methyl-2,3-dihydroinden-1-one;3,3,5-trimethyl-1,2-dihydroindene;4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline;4,4,6-trimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;4,4,6-trimethyl-2,3-dihydroisoquinolin-1-one;3,3,5-trimethyl-2H-inden-1-one?

The canonical SMILES for 2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-ol;bis(2-cyclopropyl-4,4,6-trimethyl-1,3-dihydroisoquinoline);2,5-dimethylpyridine;6-hydroxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;6-methyl-2,3-dihydroinden-1-one;3,3,5-trimethyl-1,2-dihydroindene;4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline;4,4,6-trimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;4,4,6-trimethyl-2,3-dihydroisoquinolin-1-one;3,3,5-trimethyl-2H-inden-1-one is CC1(C)CN(C2CC2)Cc2ccc(O)cc21.CC1(C)CN(C=O)Cc2ccc(O)cc21.Cc1ccc(C)nc1.Cc1ccc2c(c1)C(=O)CC2.Cc1ccc2c(c1)C(C)(C)CC2.Cc1ccc2c(c1)C(C)(C)CC2=O.Cc1ccc2c(c1)C(C)(C)CN(C1CC1)C2.Cc1ccc2c(c1)C(C)(C)CN(C1CC1)C2.Cc1ccc2c(c1)C(C)(C)CN(C=O)C2.Cc1ccc2c(c1)C(C)(C)CNC2.Cc1ccc2c(c1)C(C)(C)CNC2=O.

What is the InChIKey of 2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-ol;bis(2-cyclopropyl-4,4,6-trimethyl-1,3-dihydroisoquinoline);2,5-dimethylpyridine;6-hydroxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;6-methyl-2,3-dihydroinden-1-one;3,3,5-trimethyl-1,2-dihydroindene;4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline;4,4,6-trimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;4,4,6-trimethyl-2,3-dihydroisoquinolin-1-one;3,3,5-trimethyl-2H-inden-1-one?

The InChIKey is OGNRDBWMTFAXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H21N.C14H19NO.C13H17NO.C12H15NO2.C12H15NO.C12H17N.C12H14O.C12H16.C10H10O.C7H9N/c2*1-11-4-5-12-9-16(13-6-7-13)10-15(2,3)14(12)8-11;1-14(2)9-15(11-4-5-11)8-10-3-6-12(16)7-13(10)14;1-10-4-5-11-7-14(9-15)8-13(2,3)12(11)6-10;1-12(2)7-13(8-14)6-9-3-4-10(15)5-11(9)12;1-8-4-5-9-10(6-8)12(2,3)7-13-11(9)14;1-9-4-5-10-7-13-8-12(2,3)11(10)6-9;1-8-4-5-9-10(6-8)12(2,3)7-11(9)13;1-9-4-5-10-6-7-12(2,3)11(10)8-9;1-7-2-3-8-4-5-10(11)9(8)6-7;1-6-3-4-7(2)8-5-6/h2*4-5,8,13H,6-7,9-10H2,1-3H3;3,6-7,11,16H,4-5,8-9H2,1-2H3;4-6,9H,7-8H2,1-3H3;3-5,8,15H,6-7H2,1-2H3;4-6H,7H2,1-3H3,(H,13,14);4-6,13H,7-8H2,1-3H3;4-6H,7H2,1-3H3;4-5,8H,6-7H2,1-3H3;2-3,6H,4-5H2,1H3;3-5H,1-2H3.

What are the key properties of 2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-ol;bis(2-cyclopropyl-4,4,6-trimethyl-1,3-dihydroisoquinoline);2,5-dimethylpyridine;6-hydroxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;6-methyl-2,3-dihydroinden-1-one;3,3,5-trimethyl-1,2-dihydroindene;4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline;4,4,6-trimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;4,4,6-trimethyl-2,3-dihydroisoquinolin-1-one;3,3,5-trimethyl-2H-inden-1-one?

2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-ol;bis(2-cyclopropyl-4,4,6-trimethyl-1,3-dihydroisoquinoline);2,5-dimethylpyridine;6-hydroxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;6-methyl-2,3-dihydroinden-1-one;3,3,5-trimethyl-1,2-dihydroindene;4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline;4,4,6-trimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;4,4,6-trimethyl-2,3-dihydroisoquinolin-1-one;3,3,5-trimethyl-2H-inden-1-one has a molecular weight of 2008.91 g/mol, XLogP of 27.33, 5 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-ol;bis(2-cyclopropyl-4,4,6-trimethyl-1,3-dihydroisoquinoline);2,5-dimethylpyridine;6-hydroxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;6-methyl-2,3-dihydroinden-1-one;3,3,5-trimethyl-1,2-dihydroindene;4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline;4,4,6-trimethyl-1,3-dihydroisoquinoline-2-carbaldehyde;4,4,6-trimethyl-2,3-dihydroisoquinolin-1-one;3,3,5-trimethyl-2H-inden-1-one is sourced from PubChem (CID 159987644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).