1-tert-butyl-3-cyclopropyl-5-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylaniline;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;5-methyl-1-phenyl-4-propan-2-ylpyrazole;bis(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine);2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline

C169H232N22O3S — CID 158510871

IUPAC1-tert-butyl-3-cyclopropyl-5-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylaniline;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;5-methyl-1-phenyl-4-propan-2-ylpyrazole;bis(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine);2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline
SMILESCC(C)c1cc(C2CC2)nn1C(C)(C)C.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2ncsc2c1.CC(C)c1cccc(N(C)C)c1.CC(C)c1cccc2nccnc12.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1cnc2ccccc2c1.CCNc1ncccc1C(C)C.CCOc1ccc(C(C)C)cn1.CCOc1ccc(C(C)C)nc1.CCOc1ncccc1C(C)C.Cc1c(C(C)C)cnn1-c1ccccc1.Cc1ccc2nc(C(C)C)cn2c1.Cc1ccc2nc(C(C)C)cn2c1
InChIInChI=1S/C13H22N2.C13H16N2.C13H20N2.2C12H13N.C12H19N.2C11H14N2.C11H12N2.C11H17N.C10H16N2.3C10H15NO.C10H11NS/c1-9(2)12-8-11(10-6-7-10)14-15(12)13(3,4)5;1-10(2)13-9-14-15(11(13)3)12-7-5-4-6-8-12;1-11(2)12-6-7-14-13(10-12)15-8-4-3-5-9-15;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)10-6-7-13-11(8-10)12(3,4)5;2*1-8(2)10-7-13-6-9(3)4-5-11(13)12-10;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-9(2)10-6-5-7-11(8-10)12(3)4;1-4-11-10-9(8(2)3)6-5-7-12-10;1-4-12-9-5-6-10(8(2)3)11-7-9;1-4-12-10-6-5-9(7-11-10)8(2)3;1-4-12-10-9(8(2)3)6-5-7-11-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h8-10H,6-7H2,1-5H3;4-10H,1-3H3;6-7,10-11H,3-5,8-9H2,1-2H3;2*3-9H,1-2H3;6-9H,1-5H3;2*4-8H,1-3H3;3-8H,1-2H3;5-9H,1-4H3;5-8H,4H2,1-3H3,(H,11,12);3*5-8H,4H2,1-3H3;3-7H,1-2H3
InChIKeyHLANZSAOVVKRRG-UHFFFAOYSA-N
MW2651.93 g/mol
LogP45.39
Rot. Bonds27

About 1-tert-butyl-3-cyclopropyl-5-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylaniline;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;5-methyl-1-phenyl-4-propan-2-ylpyrazole;bis(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine);2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline

1-tert-butyl-3-cyclopropyl-5-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylaniline;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;5-methyl-1-phenyl-4-propan-2-ylpyrazole;bis(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine);2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline (PubChem CID 158510871) has the molecular formula C169H232N22O3S and a molecular weight of 2651.93 g/mol. Its IUPAC name is 1-tert-butyl-3-cyclopropyl-5-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylaniline;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;5-methyl-1-phenyl-4-propan-2-ylpyrazole;bis(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine);2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline.

Molecular Properties

Compound Name1-tert-butyl-3-cyclopropyl-5-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylaniline;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;5-methyl-1-phenyl-4-propan-2-ylpyrazole;bis(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine);2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline
PubChem CID158510871
Molecular FormulaC169H232N22O3S
Molecular Weight2651.93 g/mol
Exact Mass2649.84
IUPAC Name1-tert-butyl-3-cyclopropyl-5-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylaniline;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;5-methyl-1-phenyl-4-propan-2-ylpyrazole;bis(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine);2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline
SMILESCC(C)c1cc(C2CC2)nn1C(C)(C)C.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2ncsc2c1.CC(C)c1cccc(N(C)C)c1.CC(C)c1cccc2nccnc12.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1cnc2ccccc2c1.CCNc1ncccc1C(C)C.CCOc1ccc(C(C)C)cn1.CCOc1ccc(C(C)C)nc1.CCOc1ncccc1C(C)C.Cc1c(C(C)C)cnn1-c1ccccc1.Cc1ccc2nc(C(C)C)cn2c1.Cc1ccc2nc(C(C)C)cn2c1
InChIInChI=1S/C13H22N2.C13H16N2.C13H20N2.2C12H13N.C12H19N.2C11H14N2.C11H12N2.C11H17N.C10H16N2.3C10H15NO.C10H11NS/c1-9(2)12-8-11(10-6-7-10)14-15(12)13(3,4)5;1-10(2)13-9-14-15(11(13)3)12-7-5-4-6-8-12;1-11(2)12-6-7-14-13(10-12)15-8-4-3-5-9-15;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)10-6-7-13-11(8-10)12(3,4)5;2*1-8(2)10-7-13-6-9(3)4-5-11(13)12-10;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-9(2)10-6-5-7-11(8-10)12(3)4;1-4-11-10-9(8(2)3)6-5-7-12-10;1-4-12-9-5-6-10(8(2)3)11-7-9;1-4-12-10-6-5-9(7-11-10)8(2)3;1-4-12-10-9(8(2)3)6-5-7-11-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h8-10H,6-7H2,1-5H3;4-10H,1-3H3;6-7,10-11H,3-5,8-9H2,1-2H3;2*3-9H,1-2H3;6-9H,1-5H3;2*4-8H,1-3H3;3-8H,1-2H3;5-9H,1-4H3;5-8H,4H2,1-3H3,(H,11,12);3*5-8H,4H2,1-3H3;3-7H,1-2H3
InChIKeyHLANZSAOVVKRRG-UHFFFAOYSA-N
XLogP45.39
TPSA258.23 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds27
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002651.93
LogP ≤ 545.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 1-tert-butyl-3-cyclopropyl-5-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylaniline;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;5-methyl-1-phenyl-4-propan-2-ylpyrazole;bis(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine);2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline with MolForge

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Launch Full Analysis

Related Compounds

4-Fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-methoxy-4-methyl-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;3-methyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 159383395
1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
CID 159498526
2-(cyclopropylmethyl)-5-propan-2-ylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;bis(2-methyl-5-propan-2-ylindazole);1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-6-propan-2-yl-1-(trifluoromethyl)benzimidazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;6-propan-2-ylquinoline
CID 164978253
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
N-[3-[2-(dimethylamino)ethoxy]phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-8-amine;3-(1-methylpyrazol-4-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 157166011
(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
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
3-(azetidin-1-yl)-5-propan-2-ylpyridine;3-cyclopropyl-5-propan-2-ylpyridine;2-methyl-1-[(3-methyl-5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol;1-methyl-6-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-6-propan-2-ylimidazo[4,5-b]pyridine;1-methyl-4-(5-propan-2-yl-3-pyridinyl)piperazine;3-(1-methylpyrazol-3-yl)-5-propan-2-ylpyridine;3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine;6-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;2-propan-2-yl-1,8-naphthyridine;3-propan-2-yl-5-pyrazol-1-ylpyridine;(5-propan-2-yl-3-pyridinyl)methanol;2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole;5-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;3-propan-2-yl-5-(triazol-1-yl)pyridine;3-propan-2-yl-5-(triazol-2-yl)pyridine
CID 157550216
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine;4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole
CID 157562322
4-fluoro-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;7-fluoro-5-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine
CID 157572144
6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine;4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[(2R)-2-methylpiperidin-4-yl]-1,3-benzothiazole
CID 157581379

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-cyclopropyl-5-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylaniline;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;5-methyl-1-phenyl-4-propan-2-ylpyrazole;bis(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine);2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline?
The IUPAC name of 1-tert-butyl-3-cyclopropyl-5-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylaniline;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;5-methyl-1-phenyl-4-propan-2-ylpyrazole;bis(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine);2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline (CID 158510871) is 1-tert-butyl-3-cyclopropyl-5-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylaniline;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;5-methyl-1-phenyl-4-propan-2-ylpyrazole;bis(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine);2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline.
What is the SMILES notation for 1-tert-butyl-3-cyclopropyl-5-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylaniline;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;5-methyl-1-phenyl-4-propan-2-ylpyrazole;bis(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine);2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline?
The canonical SMILES for 1-tert-butyl-3-cyclopropyl-5-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylaniline;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;5-methyl-1-phenyl-4-propan-2-ylpyrazole;bis(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine);2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline is CC(C)c1cc(C2CC2)nn1C(C)(C)C.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2ncsc2c1.CC(C)c1cccc(N(C)C)c1.CC(C)c1cccc2nccnc12.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1cnc2ccccc2c1.CCNc1ncccc1C(C)C.CCOc1ccc(C(C)C)cn1.CCOc1ccc(C(C)C)nc1.CCOc1ncccc1C(C)C.Cc1c(C(C)C)cnn1-c1ccccc1.Cc1ccc2nc(C(C)C)cn2c1.Cc1ccc2nc(C(C)C)cn2c1.
What is the InChIKey of 1-tert-butyl-3-cyclopropyl-5-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylaniline;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;5-methyl-1-phenyl-4-propan-2-ylpyrazole;bis(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine);2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline?
The InChIKey is HLANZSAOVVKRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C13H16N2.C13H20N2.2C12H13N.C12H19N.2C11H14N2.C11H12N2.C11H17N.C10H16N2.3C10H15NO.C10H11NS/c1-9(2)12-8-11(10-6-7-10)14-15(12)13(3,4)5;1-10(2)13-9-14-15(11(13)3)12-7-5-4-6-8-12;1-11(2)12-6-7-14-13(10-12)15-8-4-3-5-9-15;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)10-6-7-13-11(8-10)12(3,4)5;2*1-8(2)10-7-13-6-9(3)4-5-11(13)12-10;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-9(2)10-6-5-7-11(8-10)12(3)4;1-4-11-10-9(8(2)3)6-5-7-12-10;1-4-12-9-5-6-10(8(2)3)11-7-9;1-4-12-10-6-5-9(7-11-10)8(2)3;1-4-12-10-9(8(2)3)6-5-7-11-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h8-10H,6-7H2,1-5H3;4-10H,1-3H3;6-7,10-11H,3-5,8-9H2,1-2H3;2*3-9H,1-2H3;6-9H,1-5H3;2*4-8H,1-3H3;3-8H,1-2H3;5-9H,1-4H3;5-8H,4H2,1-3H3,(H,11,12);3*5-8H,4H2,1-3H3;3-7H,1-2H3.
What are the key properties of 1-tert-butyl-3-cyclopropyl-5-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylaniline;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;5-methyl-1-phenyl-4-propan-2-ylpyrazole;bis(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine);2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline?
1-tert-butyl-3-cyclopropyl-5-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylaniline;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;5-methyl-1-phenyl-4-propan-2-ylpyrazole;bis(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine);2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline has a molecular weight of 2651.93 g/mol, XLogP of 45.39, 27 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-cyclopropyl-5-propan-2-ylpyrazole;2-tert-butyl-4-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylaniline;2-ethoxy-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyridine;N-ethyl-3-propan-2-ylpyridin-2-amine;5-methyl-1-phenyl-4-propan-2-ylpyrazole;bis(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine);2-piperidin-1-yl-4-propan-2-ylpyridine;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoxaline is sourced from PubChem (CID 158510871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).