N,N-dimethyl-5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;1-(4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinolin-2-yl)-2-hydroxyethanone;2-ethyl-4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinoline;2-hydroxy-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol;5-propan-2-ylisoindole-1,3-dione

C142H194N8O13 — CID 167707554

About N,N-dimethyl-5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;1-(4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinolin-2-yl)-2-hydroxyethanone;2-ethyl-4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinoline;2-hydroxy-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol;5-propan-2-ylisoindole-1,3-dione

N,N-dimethyl-5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;1-(4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinolin-2-yl)-2-hydroxyethanone;2-ethyl-4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinoline;2-hydroxy-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol;5-propan-2-ylisoindole-1,3-dione (PubChem CID 167707554) has the molecular formula C142H194N8O13 and a molecular weight of 2221.16 g/mol. Its IUPAC name is N,N-dimethyl-5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;1-(4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinolin-2-yl)-2-hydroxyethanone;2-ethyl-4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinoline;2-hydroxy-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol;5-propan-2-ylisoindole-1,3-dione.

Molecular Properties

• Compound Name: N,N-dimethyl-5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;1-(4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinolin-2-yl)-2-hydroxyethanone;2-ethyl-4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinoline;2-hydroxy-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol;5-propan-2-ylisoindole-1,3-dione
• PubChem CID: 167707554
• Molecular Formula: C142H194N8O13
• Molecular Weight: 2221.16 g/mol
• Exact Mass: 2219.48
• IUPAC Name: N,N-dimethyl-5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;1-(4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinolin-2-yl)-2-hydroxyethanone;2-ethyl-4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinoline;2-hydroxy-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol;5-propan-2-ylisoindole-1,3-dione
• SMILES: CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CC(N(C)C)C2.CC(C)c1ccc2c(c1)CN(C(=O)CO)CC2.CC(C)c1ccc2c(c1)CN(C(=O)CO)CC2(C)C.CC(C)c1ccc2c(c1)CN(CCO)CC2.CC(C)c1ccc2c(c1)CNC(=O)C2.CC(C)c1ccc2c(c1)NCCO2.CC(C)c1ccc2c(c1)OCC2.CC(C)c1ccc2c(c1)OCCC2.CC(C)c1ccc2c(c1)OCCO2.CCN1Cc2cc(C(C)C)ccc2C(C)(C)C1
• InChI: InChI=1S/C16H23NO2.C16H25N.C14H19NO2.C14H21NO.C14H21N.C12H15NO.C12H16O.C11H11NO2.C11H15NO.C11H14O2.C11H14O/c1-11(2)12-5-6-14-13(7-12)8-17(15(19)9-18)10-16(14,3)4;1-6-17-10-14-9-13(12(2)3)7-8-15(14)16(4,5)11-17;1-10(2)12-4-3-11-5-6-15(14(17)9-16)8-13(11)7-12;1-11(2)13-4-3-12-5-6-15(7-8-16)10-14(12)9-13;1-10(2)11-5-6-12-8-14(15(3)4)9-13(12)7-11;1-8(2)9-3-4-10-6-12(14)13-7-11(10)5-9;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-8(2)9-3-4-11-10(7-9)12-5-6-13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10/h5-7,11,18H,8-10H2,1-4H3;7-9,12H,6,10-11H2,1-5H3;3-4,7,10,16H,5-6,8-9H2,1-2H3;3-4,9,11,16H,5-8,10H2,1-2H3;5-7,10,14H,8-9H2,1-4H3;3-5,8H,6-7H2,1-2H3,(H,13,14);5-6,8-9H,3-4,7H2,1-2H3;3-6H,1-2H3,(H,12,13,14);3-4,7-8,12H,5-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3
• InChIKey: ZIEPOIBQKXBIQP-UHFFFAOYSA-N
• XLogP: 27.78
• TPSA: 244.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2221.16
LogP ≤ 5	27.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;1-(4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinolin-2-yl)-2-hydroxyethanone;2-ethyl-4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinoline;2-hydroxy-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol;5-propan-2-ylisoindole-1,3-dione?

The IUPAC name of N,N-dimethyl-5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;1-(4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinolin-2-yl)-2-hydroxyethanone;2-ethyl-4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinoline;2-hydroxy-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol;5-propan-2-ylisoindole-1,3-dione (CID 167707554) is N,N-dimethyl-5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;1-(4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinolin-2-yl)-2-hydroxyethanone;2-ethyl-4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinoline;2-hydroxy-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol;5-propan-2-ylisoindole-1,3-dione.

What is the SMILES notation for N,N-dimethyl-5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;1-(4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinolin-2-yl)-2-hydroxyethanone;2-ethyl-4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinoline;2-hydroxy-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol;5-propan-2-ylisoindole-1,3-dione?

The canonical SMILES for N,N-dimethyl-5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;1-(4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinolin-2-yl)-2-hydroxyethanone;2-ethyl-4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinoline;2-hydroxy-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol;5-propan-2-ylisoindole-1,3-dione is CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CC(N(C)C)C2.CC(C)c1ccc2c(c1)CN(C(=O)CO)CC2.CC(C)c1ccc2c(c1)CN(C(=O)CO)CC2(C)C.CC(C)c1ccc2c(c1)CN(CCO)CC2.CC(C)c1ccc2c(c1)CNC(=O)C2.CC(C)c1ccc2c(c1)NCCO2.CC(C)c1ccc2c(c1)OCC2.CC(C)c1ccc2c(c1)OCCC2.CC(C)c1ccc2c(c1)OCCO2.CCN1Cc2cc(C(C)C)ccc2C(C)(C)C1.

What is the InChIKey of N,N-dimethyl-5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;1-(4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinolin-2-yl)-2-hydroxyethanone;2-ethyl-4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinoline;2-hydroxy-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol;5-propan-2-ylisoindole-1,3-dione?

The InChIKey is ZIEPOIBQKXBIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.C16H25N.C14H19NO2.C14H21NO.C14H21N.C12H15NO.C12H16O.C11H11NO2.C11H15NO.C11H14O2.C11H14O/c1-11(2)12-5-6-14-13(7-12)8-17(15(19)9-18)10-16(14,3)4;1-6-17-10-14-9-13(12(2)3)7-8-15(14)16(4,5)11-17;1-10(2)12-4-3-11-5-6-15(14(17)9-16)8-13(11)7-12;1-11(2)13-4-3-12-5-6-15(7-8-16)10-14(12)9-13;1-10(2)11-5-6-12-8-14(15(3)4)9-13(12)7-11;1-8(2)9-3-4-10-6-12(14)13-7-11(10)5-9;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-8(2)9-3-4-11-10(7-9)12-5-6-13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10/h5-7,11,18H,8-10H2,1-4H3;7-9,12H,6,10-11H2,1-5H3;3-4,7,10,16H,5-6,8-9H2,1-2H3;3-4,9,11,16H,5-8,10H2,1-2H3;5-7,10,14H,8-9H2,1-4H3;3-5,8H,6-7H2,1-2H3,(H,13,14);5-6,8-9H,3-4,7H2,1-2H3;3-6H,1-2H3,(H,12,13,14);3-4,7-8,12H,5-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3.

What are the key properties of N,N-dimethyl-5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;1-(4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinolin-2-yl)-2-hydroxyethanone;2-ethyl-4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinoline;2-hydroxy-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol;5-propan-2-ylisoindole-1,3-dione?

N,N-dimethyl-5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;1-(4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinolin-2-yl)-2-hydroxyethanone;2-ethyl-4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinoline;2-hydroxy-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol;5-propan-2-ylisoindole-1,3-dione has a molecular weight of 2221.16 g/mol, XLogP of 27.78, 17 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;1-(4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinolin-2-yl)-2-hydroxyethanone;2-ethyl-4,4-dimethyl-7-propan-2-yl-1,3-dihydroisoquinoline;2-hydroxy-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol;5-propan-2-ylisoindole-1,3-dione is sourced from PubChem (CID 167707554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).