(1R,5R)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;6-propan-2-ylquinoline;2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole

C187H282N28O3S2 — CID 157213196

IUPAC(1R,5R)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;6-propan-2-ylquinoline;2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole
SMILESCC(C)C1CC[C@@H]2C[C@H]1C2(C)C.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCNCC1.CC(C)N1CCCc2ccccc21.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCOc2ccccc21.CC(C)N1CCc2c([nH]c3ccccc23)C1.CC(C)N1CCc2ccccc21.CC(C)N1CCc2cccnc21.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccncc2[nH]1.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2ncccc2c1.CC(C)c1cccnn1.CC(C)c1cn2ccccc2n1.CC(C)c1cncs1.CC(C)c1cnn2ccccc12.CC(C)c1nncs1
InChIInChI=1S/C14H18N2.C12H13N.C12H17N.C12H22.2C11H15NO.C11H15N.C11H13N.C10H12N2.C10H14N2.2C10H12N2.C8H18N2.C7H16N2.C7H10N2.C7H15NO.C7H15N.C6H9NS.C6H13N.C5H8N2S/c1-10(2)16-8-7-12-11-5-3-4-6-13(11)15-14(12)9-16;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-8(2)10-6-5-9-7-11(10)12(9,3)4;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-9(2)12-7-8-13-11-6-4-3-5-10(11)12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)10-6-3-4-9-5-7-10;1-7(2)9-5-3-8-4-6-9;1-6(2)7-4-3-5-8-9-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-5(2)6-3-7-4-8-6;1-6(2)7-4-3-5-7;1-4(2)5-7-6-3-8-5/h3-6,10,15H,7-9H2,1-2H3;3-9H,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;8-11H,5-7H2,1-4H3;3-4,7-8,12H,5-6H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-8,12H,1-2H3;3-7,12H,1-2H3;3-4,6,8H,5,7H2,1-2H3;2*3-8H,1-2H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-5H,1-2H3;6H,3-5H2,1-2H3;3-4H,1-2H3/t;;;9-,10?,11-;;;;;;;;;;;;;;;;/m...1................/s1
InChIKeyASCVBEPNVQLQML-GEGKDSKCSA-N
MW3034.64 g/mol
LogP42.80
Rot. Bonds20

About (1R,5R)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;6-propan-2-ylquinoline;2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole

(1R,5R)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;6-propan-2-ylquinoline;2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 157213196) has the molecular formula C187H282N28O3S2 and a molecular weight of 3034.64 g/mol. Its IUPAC name is (1R,5R)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;6-propan-2-ylquinoline;2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name(1R,5R)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;6-propan-2-ylquinoline;2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole
PubChem CID157213196
Molecular FormulaC187H282N28O3S2
Molecular Weight3034.64 g/mol
Exact Mass3032.22
IUPAC Name(1R,5R)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;6-propan-2-ylquinoline;2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole
SMILESCC(C)C1CC[C@@H]2C[C@H]1C2(C)C.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCNCC1.CC(C)N1CCCc2ccccc21.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCOc2ccccc21.CC(C)N1CCc2c([nH]c3ccccc23)C1.CC(C)N1CCc2ccccc21.CC(C)N1CCc2cccnc21.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccncc2[nH]1.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2ncccc2c1.CC(C)c1cccnn1.CC(C)c1cn2ccccc2n1.CC(C)c1cncs1.CC(C)c1cnn2ccccc12.CC(C)c1nncs1
InChIInChI=1S/C14H18N2.C12H13N.C12H17N.C12H22.2C11H15NO.C11H15N.C11H13N.C10H12N2.C10H14N2.2C10H12N2.C8H18N2.C7H16N2.C7H10N2.C7H15NO.C7H15N.C6H9NS.C6H13N.C5H8N2S/c1-10(2)16-8-7-12-11-5-3-4-6-13(11)15-14(12)9-16;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-8(2)10-6-5-9-7-11(10)12(9,3)4;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-9(2)12-7-8-13-11-6-4-3-5-10(11)12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)10-6-3-4-9-5-7-10;1-7(2)9-5-3-8-4-6-9;1-6(2)7-4-3-5-8-9-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-5(2)6-3-7-4-8-6;1-6(2)7-4-3-5-7;1-4(2)5-7-6-3-8-5/h3-6,10,15H,7-9H2,1-2H3;3-9H,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;8-11H,5-7H2,1-4H3;3-4,7-8,12H,5-6H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-8,12H,1-2H3;3-7,12H,1-2H3;3-4,6,8H,5,7H2,1-2H3;2*3-8H,1-2H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-5H,1-2H3;6H,3-5H2,1-2H3;3-4H,1-2H3/t;;;9-,10?,11-;;;;;;;;;;;;;;;;/m...1................/s1
InChIKeyASCVBEPNVQLQML-GEGKDSKCSA-N
XLogP42.80
TPSA281.27 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003034.64
LogP ≤ 542.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (1R,5R)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;6-propan-2-ylquinoline;2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole with MolForge

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Related Compounds

3aH-benzotriazole;1,3-benzodioxole;1,2,3-benzothiadiazole;2,1,3-benzothiadiazole;1,3-benzothiazole;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-2H-1,4-benzoxazine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;3H-indole;isoquinoline;heptadecakis(2-methylpropane);quinoline;quinoxaline;1,2,3,4-tetrahydroquinoline
CID 157050923
2-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
CID 157096277
2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline
CID 157132622
2-(4-Carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;2-[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[4,5-b]pyridine;2-[5-(9,9-dimethylacridin-10-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]thiazolo[4,5-b]pyridine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-(4-pyrido[2,3-b]indol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;2-(5-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine;10-[6-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]phenoxazine
CID 157396585
tert-butylbenzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-(4-tert-butylphenyl)benzimidazol-2-amine;(1S,9R)-2-(4-tert-butylphenyl)bicyclo[3.3.1]nonan-9-amine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[[1-(4-tert-butylphenyl)-5-methylpyrazol-4-yl]methyl]piperidine;1-(4-tert-butylphenyl)-4-(4-piperidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidine;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;2-(4-tert-butylphenyl)pyrimidine;7-(4-tert-butylphenyl)-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-amine
CID 157512346
5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine
CID 158024310
5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 158114675
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
CID 158252946
5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylquinoline;6-tert-butylquinoxaline;6-propan-2-yl-1,3-benzothiazole
CID 158325406
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indole;5-tert-butylindolizine;3-tert-butyl-1H-isoindole;5-tert-butylisoquinoline;2-tert-butylpyridine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methylthieno[2,3-c]pyridine
CID 158367214
5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methylthieno[2,3-c]pyridine
CID 158432789
5-tert-butyl-1,3-benzothiazole;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 158471550

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;6-propan-2-ylquinoline;2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole?
The IUPAC name of (1R,5R)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;6-propan-2-ylquinoline;2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole (CID 157213196) is (1R,5R)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;6-propan-2-ylquinoline;2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for (1R,5R)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;6-propan-2-ylquinoline;2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for (1R,5R)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;6-propan-2-ylquinoline;2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole is CC(C)C1CC[C@@H]2C[C@H]1C2(C)C.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCNCC1.CC(C)N1CCCc2ccccc21.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCOc2ccccc21.CC(C)N1CCc2c([nH]c3ccccc23)C1.CC(C)N1CCc2ccccc21.CC(C)N1CCc2cccnc21.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccncc2[nH]1.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2ncccc2c1.CC(C)c1cccnn1.CC(C)c1cn2ccccc2n1.CC(C)c1cncs1.CC(C)c1cnn2ccccc12.CC(C)c1nncs1.
What is the InChIKey of (1R,5R)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;6-propan-2-ylquinoline;2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole?
The InChIKey is ASCVBEPNVQLQML-GEGKDSKCSA-N. The full InChI is InChI=1S/C14H18N2.C12H13N.C12H17N.C12H22.2C11H15NO.C11H15N.C11H13N.C10H12N2.C10H14N2.2C10H12N2.C8H18N2.C7H16N2.C7H10N2.C7H15NO.C7H15N.C6H9NS.C6H13N.C5H8N2S/c1-10(2)16-8-7-12-11-5-3-4-6-13(11)15-14(12)9-16;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-8(2)10-6-5-9-7-11(10)12(9,3)4;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-9(2)12-7-8-13-11-6-4-3-5-10(11)12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)10-6-3-4-9-5-7-10;1-7(2)9-5-3-8-4-6-9;1-6(2)7-4-3-5-8-9-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-5(2)6-3-7-4-8-6;1-6(2)7-4-3-5-7;1-4(2)5-7-6-3-8-5/h3-6,10,15H,7-9H2,1-2H3;3-9H,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;8-11H,5-7H2,1-4H3;3-4,7-8,12H,5-6H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-8,12H,1-2H3;3-7,12H,1-2H3;3-4,6,8H,5,7H2,1-2H3;2*3-8H,1-2H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-5H,1-2H3;6H,3-5H2,1-2H3;3-4H,1-2H3/t;;;9-,10?,11-;;;;;;;;;;;;;;;;/m...1................/s1.
What are the key properties of (1R,5R)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;6-propan-2-ylquinoline;2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole?
(1R,5R)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;6-propan-2-ylquinoline;2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 3034.64 g/mol, XLogP of 42.80, 20 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;6-propan-2-ylquinoline;2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 157213196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).