1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methylsulfonyl-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene

C167H235N13O11S2 — CID 157205599

IUPAC1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methylsulfonyl-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene
SMILESC/C(=C/C(C)C)c1ccccc1.CC(C)(C)/C=C/c1ccncc1.CC(C)(C)c1cc2ccccc2n1CCc1ccccc1.CC(C)Oc1cc(C(C)(C)C)cnc1N.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1cccc(S(C)(=O)=O)c1.CCS(=O)(=O)c1cccc(C(C)C)c1.CN1CCN(c2ccc(C(C)(C)C)cn2)CC1.COC(=O)c1ccc2cc(C(C)C)n(C)c2c1.COCc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)C)cn1.Cc1nn([C@@H](C)c2ccccc2)cc1C(C)C
InChIInChI=1S/C20H23N.C15H22N2O.C15H20N2.C14H23N3.C14H17NO2.C12H20N2O.2C12H18O.C12H16.C11H15N.C11H16O2S.C10H14O2S.C9H13NO/c1-20(2,3)19-15-17-11-7-8-12-18(17)21(19)14-13-16-9-5-4-6-10-16;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-11(2)15-10-17(16-12(15)3)13(4)14-8-6-5-7-9-14;1-14(2,3)12-5-6-13(15-11-12)17-9-7-16(4)8-10-17;1-9(2)12-7-10-5-6-11(14(16)17-4)8-13(10)15(12)3;1-8(2)15-10-6-9(12(3,4)5)7-14-11(10)13;1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-10(2)9-11(3)12-7-5-4-6-8-12;1-11(2,3)7-4-10-5-8-12-9-6-10;1-4-14(12,13)11-7-5-6-10(8-11)9(2)3;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-7(2)8-4-5-9(11-3)10-6-8/h4-12,15H,13-14H2,1-3H3;4-7,12H,8-11H2,1-3H3;5-11,13H,1-4H3;5-6,11H,7-10H2,1-4H3;5-9H,1-4H3;6-8H,1-5H3,(H2,13,14);5-8H,9H2,1-4H3;5-10H,1-4H3;4-10H,1-3H3;4-9H,1-3H3;5-9H,4H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3/b;;;;;;;;11-9-;7-4+;;;/t;;13-;;;;;;;;;;/m..0........../s1
InChIKeyARHXOBGEOPQXMT-XPMHKMOXSA-N
MW2664.93 g/mol
LogP39.92
Rot. Bonds28

About 1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methylsulfonyl-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene

1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methylsulfonyl-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene (PubChem CID 157205599) has the molecular formula C167H235N13O11S2 and a molecular weight of 2664.93 g/mol. Its IUPAC name is 1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methylsulfonyl-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methylsulfonyl-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene
PubChem CID157205599
Molecular FormulaC167H235N13O11S2
Molecular Weight2664.93 g/mol
Exact Mass2662.77
IUPAC Name1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methylsulfonyl-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene
SMILESC/C(=C/C(C)C)c1ccccc1.CC(C)(C)/C=C/c1ccncc1.CC(C)(C)c1cc2ccccc2n1CCc1ccccc1.CC(C)Oc1cc(C(C)(C)C)cnc1N.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1cccc(S(C)(=O)=O)c1.CCS(=O)(=O)c1cccc(C(C)C)c1.CN1CCN(c2ccc(C(C)(C)C)cn2)CC1.COC(=O)c1ccc2cc(C(C)C)n(C)c2c1.COCc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)C)cn1.Cc1nn([C@@H](C)c2ccccc2)cc1C(C)C
InChIInChI=1S/C20H23N.C15H22N2O.C15H20N2.C14H23N3.C14H17NO2.C12H20N2O.2C12H18O.C12H16.C11H15N.C11H16O2S.C10H14O2S.C9H13NO/c1-20(2,3)19-15-17-11-7-8-12-18(17)21(19)14-13-16-9-5-4-6-10-16;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-11(2)15-10-17(16-12(15)3)13(4)14-8-6-5-7-9-14;1-14(2,3)12-5-6-13(15-11-12)17-9-7-16(4)8-10-17;1-9(2)12-7-10-5-6-11(14(16)17-4)8-13(10)15(12)3;1-8(2)15-10-6-9(12(3,4)5)7-14-11(10)13;1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-10(2)9-11(3)12-7-5-4-6-8-12;1-11(2,3)7-4-10-5-8-12-9-6-10;1-4-14(12,13)11-7-5-6-10(8-11)9(2)3;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-7(2)8-4-5-9(11-3)10-6-8/h4-12,15H,13-14H2,1-3H3;4-7,12H,8-11H2,1-3H3;5-11,13H,1-4H3;5-6,11H,7-10H2,1-4H3;5-9H,1-4H3;6-8H,1-5H3,(H2,13,14);5-8H,9H2,1-4H3;5-10H,1-4H3;4-10H,1-3H3;4-9H,1-3H3;5-9H,4H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3/b;;;;;;;;11-9-;7-4+;;;/t;;13-;;;;;;;;;;/m..0........../s1
InChIKeyARHXOBGEOPQXMT-XPMHKMOXSA-N
XLogP39.92
TPSA266.79 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds28
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002664.93
LogP ≤ 539.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze 1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methylsulfonyl-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-(2-methoxyphenyl)-3-methylbutan-2-one;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;1-methylsulfonyl-3-propan-2-ylbenzene;2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;3-propan-2-ylbenzenesulfonamide
CID 160254772
6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-(2-methoxyphenyl)-3-methylbutan-2-one;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;1-methylsulfonyl-3-propan-2-ylbenzene;2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;3-propan-2-ylbenzenesulfonamide;2-propan-2-yloxyethylbenzene
CID 160331754
1-benzyl-5-methyl-3-propan-2-ylpyrazole;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-(2-methoxyphenyl)-3-methylbutan-2-one;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;1-methylsulfonyl-3-propan-2-ylbenzene;2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;2-propan-2-yloxyethylbenzene;2-propan-2-yloxypyridine
CID 160803739
1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N,N-dimethyl-4-propan-2-ylaniline;1-ethylsulfonyl-3-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;1-methylsulfonyl-3-propan-2-ylbenzene;2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;2-propan-2-yloxyethylbenzene;2-(propan-2-yloxymethyl)pyridine
CID 161997894
4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one;5-[6-(ethylamino)-1-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroisoindole-1-thione;5-[6-(ethylamino)-1-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-3H-isoindol-1-one;N-ethyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine;N-ethyl-3-(4-methylsulfonylphenyl)-1-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
CID 163830515
1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide
CID 158334230
2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;4-propan-2-ylbenzenesulfonamide
CID 158586244
1-(benzenesulfonyl)-2-propan-2-ylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;1-isoquinolin-1-yl-3-methylbutan-2-one;2-methoxy-5-propan-2-ylpyridine;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;[(Z)-4-methylpent-2-en-2-yl]benzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 159042742
1-benzyl-5-methyl-3-propan-2-ylpyrazole;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzenesulfonamide
CID 159833978
1-(Benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;methane;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate
CID 159873161
5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;1,6-dimethyl-5-propan-2-ylindazole;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;3-[(E)-3-methylbut-1-enyl]pyridine;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-1-propan-2-yloxypropane;propan-2-yloxymethylcyclopropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide
CID 160132336
3-benzyl-1-methyl-4-propan-2-ylpyrazole;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;5-tert-butyl-2-phenylmethoxypyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 160386125

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methylsulfonyl-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene?
The IUPAC name of 1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methylsulfonyl-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene (CID 157205599) is 1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methylsulfonyl-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methylsulfonyl-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene?
The canonical SMILES for 1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methylsulfonyl-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene is C/C(=C/C(C)C)c1ccccc1.CC(C)(C)/C=C/c1ccncc1.CC(C)(C)c1cc2ccccc2n1CCc1ccccc1.CC(C)Oc1cc(C(C)(C)C)cnc1N.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1cccc(S(C)(=O)=O)c1.CCS(=O)(=O)c1cccc(C(C)C)c1.CN1CCN(c2ccc(C(C)(C)C)cn2)CC1.COC(=O)c1ccc2cc(C(C)C)n(C)c2c1.COCc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)C)cn1.Cc1nn([C@@H](C)c2ccccc2)cc1C(C)C.
What is the InChIKey of 1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methylsulfonyl-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene?
The InChIKey is ARHXOBGEOPQXMT-XPMHKMOXSA-N. The full InChI is InChI=1S/C20H23N.C15H22N2O.C15H20N2.C14H23N3.C14H17NO2.C12H20N2O.2C12H18O.C12H16.C11H15N.C11H16O2S.C10H14O2S.C9H13NO/c1-20(2,3)19-15-17-11-7-8-12-18(17)21(19)14-13-16-9-5-4-6-10-16;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-11(2)15-10-17(16-12(15)3)13(4)14-8-6-5-7-9-14;1-14(2,3)12-5-6-13(15-11-12)17-9-7-16(4)8-10-17;1-9(2)12-7-10-5-6-11(14(16)17-4)8-13(10)15(12)3;1-8(2)15-10-6-9(12(3,4)5)7-14-11(10)13;1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-10(2)9-11(3)12-7-5-4-6-8-12;1-11(2,3)7-4-10-5-8-12-9-6-10;1-4-14(12,13)11-7-5-6-10(8-11)9(2)3;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-7(2)8-4-5-9(11-3)10-6-8/h4-12,15H,13-14H2,1-3H3;4-7,12H,8-11H2,1-3H3;5-11,13H,1-4H3;5-6,11H,7-10H2,1-4H3;5-9H,1-4H3;6-8H,1-5H3,(H2,13,14);5-8H,9H2,1-4H3;5-10H,1-4H3;4-10H,1-3H3;4-9H,1-3H3;5-9H,4H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3/b;;;;;;;;11-9-;7-4+;;;/t;;13-;;;;;;;;;;/m..0........../s1.
What are the key properties of 1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methylsulfonyl-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene?
1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methylsulfonyl-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene has a molecular weight of 2664.93 g/mol, XLogP of 39.92, 28 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methylsulfonyl-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene is sourced from PubChem (CID 157205599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).