2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;3-methyl-1-(5-methyl-1H-pyrazol-3-yl)butan-2-one;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;2-(1-propan-2-yloxyethyl)pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine
C178H252FN19O15S2 — CID 158260363
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;3-methyl-1-(5-methyl-1H-pyrazol-3-yl)butan-2-one;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;2-(1-propan-2-yloxyethyl)pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine
SMILESC/C(=C(/F)C(C)C)c1ccc(C#N)cc1.CC(=O)Cc1cccc(C(C)C)c1.CC(C)(C)/C=C/c1ccccn1.CC(C)OC(C)c1ccccn1.CC(C)c1ccc(C(=O)N2CCCC2)cc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2nccn2c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(NS(C)(=O)=O)c1.CC(C)c1cnn(C(C)(C)CO)c1.CC(C)c1cnn(C2COC2)c1.COCCn1c(C(C)(C)C)cc2ccccc21.Cc1cc(CC(=O)C(C)C)n[nH]1.Cn1c(C(C)(C)C)cc2c1CCCC2
InChIInChI=1S/C15H21NO.C14H19NO.C13H14FN.C13H21N.C12H18N2O.C12H16O.C11H15N.C11H14O2.C10H18N2O.C10H12N2.C10H15NO2S.C10H15NO.C10H13NO.2C9H14N2O.C9H13NO2S/c1-15(2,3)14-11-12-7-5-6-8-13(12)16(14)9-10-17-4;1-11(2)12-5-7-13(8-6-12)14(16)15-9-3-4-10-15;1-9(2)13(14)10(3)12-6-4-11(8-15)5-7-12;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)12-6-4-5-11(8-12)7-10(3)13;1-11(2,3)8-7-10-6-4-5-9-12-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-5-11-12(6-9)10(3,4)7-13;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-5-4-6-10(7-9)11-14(3,12)13;1-8(2)12-9(3)10-6-4-5-7-11-10;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-3-10-11(4-8)9-5-12-6-9;1-6(2)9(12)5-8-4-7(3)10-11-8;1-7(2)8-3-5-9(6-4-8)13(10,11)12/h5-8,11H,9-10H2,1-4H3;5-8,11H,3-4,9-10H2,1-2H3;4-7,9H,1-3H3;9H,5-8H2,1-4H3;3-4,9-10H,5-8H2,1-2H3;4-6,8-9H,7H2,1-3H3;4-9H,1-3H3;3-4,7-8H,5-6H2,1-2H3;5-6,8,13H,7H2,1-4H3;3-8H,1-2H3;4-8,11H,1-3H3;4-9H,1-3H3;3-7H,1-2H3,(H2,11,12);3-4,7,9H,5-6H2,1-2H3;4,6H,5H2,1-3H3,(H,10,11);3-7H,1-2H3,(H2,10,11,12)/b;;13-10-;;;;8-7+;;;;;;;;;
InChIKeyGHUMEAKGGUNSGV-USQZOTBDSA-N
MW2981.22 g/mol
LogP39.82
Rot. Bonds33
About 2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;3-methyl-1-(5-methyl-1H-pyrazol-3-yl)butan-2-one;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;2-(1-propan-2-yloxyethyl)pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine
2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;3-methyl-1-(5-methyl-1H-pyrazol-3-yl)butan-2-one;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;2-(1-propan-2-yloxyethyl)pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine (PubChem CID 158260363) has the molecular formula C178H252FN19O15S2 and a molecular weight of 2981.22 g/mol. Its IUPAC name is 2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;3-methyl-1-(5-methyl-1H-pyrazol-3-yl)butan-2-one;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;2-(1-propan-2-yloxyethyl)pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine.
Molecular Properties
| Compound Name | 2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;3-methyl-1-(5-methyl-1H-pyrazol-3-yl)butan-2-one;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;2-(1-propan-2-yloxyethyl)pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine |
|---|---|
| PubChem CID | 158260363 |
| Molecular Formula | C178H252FN19O15S2 |
| Molecular Weight | 2981.22 g/mol |
| Exact Mass | 2978.90 |
| IUPAC Name | 2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;3-methyl-1-(5-methyl-1H-pyrazol-3-yl)butan-2-one;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;2-(1-propan-2-yloxyethyl)pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine |
| SMILES | C/C(=C(/F)C(C)C)c1ccc(C#N)cc1.CC(=O)Cc1cccc(C(C)C)c1.CC(C)(C)/C=C/c1ccccn1.CC(C)OC(C)c1ccccn1.CC(C)c1ccc(C(=O)N2CCCC2)cc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2nccn2c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(NS(C)(=O)=O)c1.CC(C)c1cnn(C(C)(C)CO)c1.CC(C)c1cnn(C2COC2)c1.COCCn1c(C(C)(C)C)cc2ccccc21.Cc1cc(CC(=O)C(C)C)n[nH]1.Cn1c(C(C)(C)C)cc2c1CCCC2 |
| InChI | InChI=1S/C15H21NO.C14H19NO.C13H14FN.C13H21N.C12H18N2O.C12H16O.C11H15N.C11H14O2.C10H18N2O.C10H12N2.C10H15NO2S.C10H15NO.C10H13NO.2C9H14N2O.C9H13NO2S/c1-15(2,3)14-11-12-7-5-6-8-13(12)16(14)9-10-17-4;1-11(2)12-5-7-13(8-6-12)14(16)15-9-3-4-10-15;1-9(2)13(14)10(3)12-6-4-11(8-15)5-7-12;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)12-6-4-5-11(8-12)7-10(3)13;1-11(2,3)8-7-10-6-4-5-9-12-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-5-11-12(6-9)10(3,4)7-13;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-5-4-6-10(7-9)11-14(3,12)13;1-8(2)12-9(3)10-6-4-5-7-11-10;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-3-10-11(4-8)9-5-12-6-9;1-6(2)9(12)5-8-4-7(3)10-11-8;1-7(2)8-3-5-9(6-4-8)13(10,11)12/h5-8,11H,9-10H2,1-4H3;5-8,11H,3-4,9-10H2,1-2H3;4-7,9H,1-3H3;9H,5-8H2,1-4H3;3-4,9-10H,5-8H2,1-2H3;4-6,8-9H,7H2,1-3H3;4-9H,1-3H3;3-4,7-8H,5-6H2,1-2H3;5-6,8,13H,7H2,1-4H3;3-8H,1-2H3;4-8,11H,1-3H3;4-9H,1-3H3;3-7H,1-2H3,(H2,11,12);3-4,7,9H,5-6H2,1-2H3;4,6H,5H2,1-3H3,(H,10,11);3-7H,1-2H3,(H2,10,11,12)/b;;13-10-;;;;8-7+;;;;;;;;; |
| InChIKey | GHUMEAKGGUNSGV-USQZOTBDSA-N |
| XLogP | 39.82 |
| TPSA | 436.66 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 215 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2981.22 |
| LogP ≤ 5 | 39.82 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 29 |
Frequently Asked Questions
What is the IUPAC name of 2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;3-methyl-1-(5-methyl-1H-pyrazol-3-yl)butan-2-one;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;2-(1-propan-2-yloxyethyl)pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine?
The IUPAC name of 2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;3-methyl-1-(5-methyl-1H-pyrazol-3-yl)butan-2-one;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;2-(1-propan-2-yloxyethyl)pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine (CID 158260363) is 2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;3-methyl-1-(5-methyl-1H-pyrazol-3-yl)butan-2-one;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;2-(1-propan-2-yloxyethyl)pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine.
What is the SMILES notation for 2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;3-methyl-1-(5-methyl-1H-pyrazol-3-yl)butan-2-one;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;2-(1-propan-2-yloxyethyl)pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine?
The canonical SMILES for 2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;3-methyl-1-(5-methyl-1H-pyrazol-3-yl)butan-2-one;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;2-(1-propan-2-yloxyethyl)pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine is C/C(=C(/F)C(C)C)c1ccc(C#N)cc1.CC(=O)Cc1cccc(C(C)C)c1.CC(C)(C)/C=C/c1ccccn1.CC(C)OC(C)c1ccccn1.CC(C)c1ccc(C(=O)N2CCCC2)cc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2nccn2c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(NS(C)(=O)=O)c1.CC(C)c1cnn(C(C)(C)CO)c1.CC(C)c1cnn(C2COC2)c1.COCCn1c(C(C)(C)C)cc2ccccc21.Cc1cc(CC(=O)C(C)C)n[nH]1.Cn1c(C(C)(C)C)cc2c1CCCC2.
What is the InChIKey of 2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;3-methyl-1-(5-methyl-1H-pyrazol-3-yl)butan-2-one;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;2-(1-propan-2-yloxyethyl)pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine?
The InChIKey is GHUMEAKGGUNSGV-USQZOTBDSA-N. The full InChI is InChI=1S/C15H21NO.C14H19NO.C13H14FN.C13H21N.C12H18N2O.C12H16O.C11H15N.C11H14O2.C10H18N2O.C10H12N2.C10H15NO2S.C10H15NO.C10H13NO.2C9H14N2O.C9H13NO2S/c1-15(2,3)14-11-12-7-5-6-8-13(12)16(14)9-10-17-4;1-11(2)12-5-7-13(8-6-12)14(16)15-9-3-4-10-15;1-9(2)13(14)10(3)12-6-4-11(8-15)5-7-12;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)12-6-4-5-11(8-12)7-10(3)13;1-11(2,3)8-7-10-6-4-5-9-12-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-5-11-12(6-9)10(3,4)7-13;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-5-4-6-10(7-9)11-14(3,12)13;1-8(2)12-9(3)10-6-4-5-7-11-10;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-3-10-11(4-8)9-5-12-6-9;1-6(2)9(12)5-8-4-7(3)10-11-8;1-7(2)8-3-5-9(6-4-8)13(10,11)12/h5-8,11H,9-10H2,1-4H3;5-8,11H,3-4,9-10H2,1-2H3;4-7,9H,1-3H3;9H,5-8H2,1-4H3;3-4,9-10H,5-8H2,1-2H3;4-6,8-9H,7H2,1-3H3;4-9H,1-3H3;3-4,7-8H,5-6H2,1-2H3;5-6,8,13H,7H2,1-4H3;3-8H,1-2H3;4-8,11H,1-3H3;4-9H,1-3H3;3-7H,1-2H3,(H2,11,12);3-4,7,9H,5-6H2,1-2H3;4,6H,5H2,1-3H3,(H,10,11);3-7H,1-2H3,(H2,10,11,12)/b;;13-10-;;;;8-7+;;;;;;;;;.
What are the key properties of 2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;3-methyl-1-(5-methyl-1H-pyrazol-3-yl)butan-2-one;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;2-(1-propan-2-yloxyethyl)pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine?
2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;3-methyl-1-(5-methyl-1H-pyrazol-3-yl)butan-2-one;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;2-(1-propan-2-yloxyethyl)pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine has a molecular weight of 2981.22 g/mol, XLogP of 39.82, 33 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(Z)-3-fluoro-4-methylpent-2-en-2-yl]benzonitrile;3-methyl-1-(5-methyl-1H-pyrazol-3-yl)butan-2-one;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;2-(1-propan-2-yloxyethyl)pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine is sourced from PubChem (CID 158260363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158260363 — identifiers, structure, computed properties (public domain)
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