tert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;N-tert-butylimidazo[1,2-a]pyridine-8-carboxamide;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydroquinoline;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene

C181H268N18O4S — CID 158898887

IUPACtert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;N-tert-butylimidazo[1,2-a]pyridine-8-carboxamide;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydroquinoline;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene
SMILESCC(C)(C)CC(=O)c1ccccn1.CC(C)(C)Cc1ccc2c(c1)CCCC2.CC(C)(C)Cc1nsc2nccnc12.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1Cc2ccccc2C1.CC(C)(C)NC(=O)c1cccn2ccnc12.CC(C)(C)Oc1ccccc1.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc2c(c1)CCCC2.CC(C)(C)c1cnc2c(c1)CCNC2.CC(C)(C)c1cnc2c(c1)CNC2
InChIInChI=1S/C15H22.3C13H19N.C13H18O.C12H15N3O.C12H18N2.C12H17N.C11H16N2.C11H15NO.C10H13N3S.C10H14O.C10H14.C9H13N.C9H19N.C8H17N/c1-15(2,3)11-12-8-9-13-6-4-5-7-14(13)10-12;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)14-11(16)9-5-4-7-15-8-6-13-10(9)15;1-12(2,3)10-6-9-4-5-13-8-11(9)14-7-10;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-11(2,3)9-4-8-5-12-7-10(8)13-6-9;1-11(2,3)8-10(13)9-6-4-5-7-12-9;1-10(2,3)6-7-8-9(14-13-7)12-5-4-11-8;1-10(2,3)11-9-7-5-4-6-8-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9/h8-10H,4-7,11H2,1-3H3;4-5,8,14H,6-7,9H2,1-3H3;8-9H,4-7H2,1-3H3;4-7H,8-10H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;4-8H,1-3H3,(H,14,16);6-7,13H,4-5,8H2,1-3H3;4-7H,8-9H2,1-3H3;4,6,12H,5,7H2,1-3H3;4-7H,8H2,1-3H3;4-5H,6H2,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3
InChIKeyJFEHLERYWOQDFW-UHFFFAOYSA-N
MW2792.32 g/mol
LogP42.62
Rot. Bonds6

About tert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;N-tert-butylimidazo[1,2-a]pyridine-8-carboxamide;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydroquinoline;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene

tert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;N-tert-butylimidazo[1,2-a]pyridine-8-carboxamide;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydroquinoline;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene (PubChem CID 158898887) has the molecular formula C181H268N18O4S and a molecular weight of 2792.32 g/mol. Its IUPAC name is tert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;N-tert-butylimidazo[1,2-a]pyridine-8-carboxamide;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydroquinoline;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene.

Molecular Properties

Compound Nametert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;N-tert-butylimidazo[1,2-a]pyridine-8-carboxamide;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydroquinoline;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene
PubChem CID158898887
Molecular FormulaC181H268N18O4S
Molecular Weight2792.32 g/mol
Exact Mass2790.10
IUPAC Nametert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;N-tert-butylimidazo[1,2-a]pyridine-8-carboxamide;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydroquinoline;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene
SMILESCC(C)(C)CC(=O)c1ccccn1.CC(C)(C)Cc1ccc2c(c1)CCCC2.CC(C)(C)Cc1nsc2nccnc12.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1Cc2ccccc2C1.CC(C)(C)NC(=O)c1cccn2ccnc12.CC(C)(C)Oc1ccccc1.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc2c(c1)CCCC2.CC(C)(C)c1cnc2c(c1)CCNC2.CC(C)(C)c1cnc2c(c1)CNC2
InChIInChI=1S/C15H22.3C13H19N.C13H18O.C12H15N3O.C12H18N2.C12H17N.C11H16N2.C11H15NO.C10H13N3S.C10H14O.C10H14.C9H13N.C9H19N.C8H17N/c1-15(2,3)11-12-8-9-13-6-4-5-7-14(13)10-12;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)14-11(16)9-5-4-7-15-8-6-13-10(9)15;1-12(2,3)10-6-9-4-5-13-8-11(9)14-7-10;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-11(2,3)9-4-8-5-12-7-10(8)13-6-9;1-11(2,3)8-10(13)9-6-4-5-7-12-9;1-10(2,3)6-7-8-9(14-13-7)12-5-4-11-8;1-10(2,3)11-9-7-5-4-6-8-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9/h8-10H,4-7,11H2,1-3H3;4-5,8,14H,6-7,9H2,1-3H3;8-9H,4-7H2,1-3H3;4-7H,8-10H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;4-8H,1-3H3,(H,14,16);6-7,13H,4-5,8H2,1-3H3;4-7H,8-9H2,1-3H3;4,6,12H,5,7H2,1-3H3;4-7H,8H2,1-3H3;4-5H,6H2,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3
InChIKeyJFEHLERYWOQDFW-UHFFFAOYSA-N
XLogP42.62
TPSA234.10 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds6
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002792.32
LogP ≤ 542.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze tert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;N-tert-butylimidazo[1,2-a]pyridine-8-carboxamide;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydroquinoline;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene with MolForge

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Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[[4-(furan-2-yl)cyclohexyl]methyl]-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[[4-(furan-2-yl)phenyl]methyl]-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[[4-(3-methoxyprop-1-ynyl)phenyl]methyl]-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-methyl-N-[2-(4-pentoxyphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;2-methyl-N-[(4-pentoxyphenyl)methyl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 158188982
N-[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzamide;4-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]isoquinoline;7-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]isoquinoline;4-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 158333246
4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline;N-[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]pyridine-2-carboxamide;4-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]isoquinoline;4-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 159341061
N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[[4-(furan-2-yl)cyclohexyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[2-[4-(furan-2-yl)phenyl]ethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[[4-(furan-2-yl)phenyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[2-[4-(3-methoxyprop-1-ynyl)phenyl]ethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-[2-(4-pentoxyphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 159919275
tert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;N-tert-butylindolizine-8-carboxamide;9-tert-butyl-2-methylidene-1,9-diazaspiro[5.5]undecane;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline);3,3-dimethylbutylcyclohexane;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene
CID 160367444
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[2-[4-(furan-2-yl)cyclohexyl]ethyl]-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[2-[4-(furan-2-yl)phenyl]ethyl]-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[2-[5-(furan-2-yl)-2-pyridinyl]ethyl]-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[2-[4-(3-methoxyprop-1-ynyl)phenyl]ethyl]-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[[4-(3-methoxyprop-1-ynyl)phenyl]methyl]-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-methyl-N-[(4-pentoxyphenyl)methyl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 160372358
5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecan-2-one;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 160601053
[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 160811162
acridine;benzo[h]quinoline;1,3-benzothiazole;1,2-di(propan-2-yl)imidazole;ethane;3H-imidazo[4,5-c]pyridine;2-methyl-1H-imidazole;phenanthridine;2-propan-2-ylchromen-4-one;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yl-3H-pyridine-2,6-dione;1-propan-2-ylpyrrole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(4-propan-2-ylquinoline);1,3,7-tri(propan-2-yl)-4,5-dihydropurine-2,6-dione
CID 161013428
[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 161536053
CID 161951615
CID 161951615
N-[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]pyridine-2-carboxamide;4-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]isoquinoline;7-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]isoquinoline;4-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 162196803

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;N-tert-butylimidazo[1,2-a]pyridine-8-carboxamide;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydroquinoline;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene?
The IUPAC name of tert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;N-tert-butylimidazo[1,2-a]pyridine-8-carboxamide;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydroquinoline;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene (CID 158898887) is tert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;N-tert-butylimidazo[1,2-a]pyridine-8-carboxamide;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydroquinoline;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene.
What is the SMILES notation for tert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;N-tert-butylimidazo[1,2-a]pyridine-8-carboxamide;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydroquinoline;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene?
The canonical SMILES for tert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;N-tert-butylimidazo[1,2-a]pyridine-8-carboxamide;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydroquinoline;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene is CC(C)(C)CC(=O)c1ccccn1.CC(C)(C)Cc1ccc2c(c1)CCCC2.CC(C)(C)Cc1nsc2nccnc12.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1Cc2ccccc2C1.CC(C)(C)NC(=O)c1cccn2ccnc12.CC(C)(C)Oc1ccccc1.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc2c(c1)CCCC2.CC(C)(C)c1cnc2c(c1)CCNC2.CC(C)(C)c1cnc2c(c1)CNC2.
What is the InChIKey of tert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;N-tert-butylimidazo[1,2-a]pyridine-8-carboxamide;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydroquinoline;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene?
The InChIKey is JFEHLERYWOQDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22.3C13H19N.C13H18O.C12H15N3O.C12H18N2.C12H17N.C11H16N2.C11H15NO.C10H13N3S.C10H14O.C10H14.C9H13N.C9H19N.C8H17N/c1-15(2,3)11-12-8-9-13-6-4-5-7-14(13)10-12;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)14-11(16)9-5-4-7-15-8-6-13-10(9)15;1-12(2,3)10-6-9-4-5-13-8-11(9)14-7-10;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-11(2,3)9-4-8-5-12-7-10(8)13-6-9;1-11(2,3)8-10(13)9-6-4-5-7-12-9;1-10(2,3)6-7-8-9(14-13-7)12-5-4-11-8;1-10(2,3)11-9-7-5-4-6-8-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9/h8-10H,4-7,11H2,1-3H3;4-5,8,14H,6-7,9H2,1-3H3;8-9H,4-7H2,1-3H3;4-7H,8-10H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;4-8H,1-3H3,(H,14,16);6-7,13H,4-5,8H2,1-3H3;4-7H,8-9H2,1-3H3;4,6,12H,5,7H2,1-3H3;4-7H,8H2,1-3H3;4-5H,6H2,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3.
What are the key properties of tert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;N-tert-butylimidazo[1,2-a]pyridine-8-carboxamide;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydroquinoline;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene?
tert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;N-tert-butylimidazo[1,2-a]pyridine-8-carboxamide;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydroquinoline;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene has a molecular weight of 2792.32 g/mol, XLogP of 42.62, 6 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;N-tert-butylimidazo[1,2-a]pyridine-8-carboxamide;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydroquinoline;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene is sourced from PubChem (CID 158898887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).