tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine

C255H446FN31O16S3 — CID 159607681

IUPACtert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine
SMILESC#CCN1CCN(C(C)(C)C)CC1.CC(=O)COc1ccc(C(C)(C)C)cc1.CC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)N1C=NOCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1CCS(=O)CC1.CC(C)N1CCSCC1.CC(C)c1ccc2cncn2c1.CCC(=O)N1CCN(C(C)(C)C)CC1.CCC(=O)N1CCN(C(C)C)C=N1.CCCOc1ccc(C(C)(C)C)cc1.CCN(CC)c1ccc(C(C)(C)C)cc1.CCOc1ccc(C(C)(C)C)cc1.COC1CCN(C(C)C)C1.COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21NO.C14H23N.C13H18O2.C13H20O.C12H18O.C11H22N2O.C11H20N2.C11H16O.C10H13F.C10H12N2.C10H14O.C10H14.C9H17N3O.C9H18N2O.C9H19N.2C8H18N2.2C8H17NO.C8H17N.C8H13N.2C7H12N2.C7H15NO2S.C7H15NOS.C7H15NS.C6H12N2O/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5;1-10(14)9-15-12-7-5-11(6-8-12)13(2,3)4;1-5-10-14-12-8-6-11(7-9-12)13(2,3)4;1-5-13-11-8-6-10(7-9-11)12(2,3)4;1-5-10(14)12-6-8-13(9-7-12)11(2,3)4;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)8-5-4-6-9(11)7-8;1-8(2)9-3-4-10-5-11-7-12(10)6-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-4-9(13)12-6-5-11(7-10-12)8(2)3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-9(2,3)10-7-5-4-6-8-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2)9-5-4-8(6-9)10-3;2*1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2)8-3-5-11(9,10)6-4-8;1-7(2)8-3-5-10(9)6-4-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-3-4-9-7-5-8/h4-7H,8-11H2,1-3H3;8-11H,6-7H2,1-5H3;5-8H,9H2,1-4H3;6-9H,5,10H2,1-4H3;6-9H,5H2,1-4H3;5-9H2,1-4H3;1H,6-10H2,2-4H3;5-8H,1-4H3;4-7H,1-3H3;3-8H,1-2H3;4-7,11H,1-3H3;4-8H,1-3H3;7-8H,4-6H2,1-3H3;8H,4-7H2,1-3H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7-8H,4-6H2,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyMMHCYGTWWSFYFI-UHFFFAOYSA-N
MW4317.77 g/mol
LogP50.77
Rot. Bonds26

About tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine

tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine (PubChem CID 159607681) has the molecular formula C255H446FN31O16S3 and a molecular weight of 4317.77 g/mol. Its IUPAC name is tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine.

Molecular Properties

Compound Nametert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine
PubChem CID159607681
Molecular FormulaC255H446FN31O16S3
Molecular Weight4317.77 g/mol
Exact Mass4314.42
IUPAC Nametert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine
SMILESC#CCN1CCN(C(C)(C)C)CC1.CC(=O)COc1ccc(C(C)(C)C)cc1.CC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)N1C=NOCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1CCS(=O)CC1.CC(C)N1CCSCC1.CC(C)c1ccc2cncn2c1.CCC(=O)N1CCN(C(C)(C)C)CC1.CCC(=O)N1CCN(C(C)C)C=N1.CCCOc1ccc(C(C)(C)C)cc1.CCN(CC)c1ccc(C(C)(C)C)cc1.CCOc1ccc(C(C)(C)C)cc1.COC1CCN(C(C)C)C1.COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21NO.C14H23N.C13H18O2.C13H20O.C12H18O.C11H22N2O.C11H20N2.C11H16O.C10H13F.C10H12N2.C10H14O.C10H14.C9H17N3O.C9H18N2O.C9H19N.2C8H18N2.2C8H17NO.C8H17N.C8H13N.2C7H12N2.C7H15NO2S.C7H15NOS.C7H15NS.C6H12N2O/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5;1-10(14)9-15-12-7-5-11(6-8-12)13(2,3)4;1-5-10-14-12-8-6-11(7-9-12)13(2,3)4;1-5-13-11-8-6-10(7-9-11)12(2,3)4;1-5-10(14)12-6-8-13(9-7-12)11(2,3)4;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)8-5-4-6-9(11)7-8;1-8(2)9-3-4-10-5-11-7-12(10)6-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-4-9(13)12-6-5-11(7-10-12)8(2)3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-9(2,3)10-7-5-4-6-8-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2)9-5-4-8(6-9)10-3;2*1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2)8-3-5-11(9,10)6-4-8;1-7(2)8-3-5-10(9)6-4-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-3-4-9-7-5-8/h4-7H,8-11H2,1-3H3;8-11H,6-7H2,1-5H3;5-8H,9H2,1-4H3;6-9H,5,10H2,1-4H3;6-9H,5H2,1-4H3;5-9H2,1-4H3;1H,6-10H2,2-4H3;5-8H,1-4H3;4-7H,1-3H3;3-8H,1-2H3;4-7,11H,1-3H3;4-8H,1-3H3;7-8H,4-6H2,1-3H3;8H,4-7H2,1-3H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7-8H,4-6H2,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyMMHCYGTWWSFYFI-UHFFFAOYSA-N
XLogP50.77
TPSA376.22 Ų
H-Bond Donors2
H-Bond Acceptors45
Rotatable Bonds26
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004317.77
LogP ≤ 550.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1045

Analyze tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine with MolForge

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Related Compounds

4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypiperidine-1-carboxamide;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-(1-methylsulfonylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine;4-(3,6-dihydro-2H-thiopyran-4-yl)-3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridine;2,2-dimethyl-4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;2,2-dimethyl-4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynoic acid;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide;N,2,2-trimethyl-4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide
CID 157202984
2-tert-butyl-1-methylimidazole;4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine;methane
CID 157365976
tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 157460150
tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine
CID 160584331
tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine
CID 160683856
tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)-2-hydroxyethanone;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-yl-2H-imidazo[1,5-a]pyridin-4-ium;1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 160858711
tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol
CID 160914228
tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2,3-dihydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidin-4-ol
CID 161381711
tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine
CID 162085199

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine?
The IUPAC name of tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine (CID 159607681) is tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine.
What is the SMILES notation for tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine?
The canonical SMILES for tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine is C#CCN1CCN(C(C)(C)C)CC1.CC(=O)COc1ccc(C(C)(C)C)cc1.CC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)N1C=NOCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1CCS(=O)CC1.CC(C)N1CCSCC1.CC(C)c1ccc2cncn2c1.CCC(=O)N1CCN(C(C)(C)C)CC1.CCC(=O)N1CCN(C(C)C)C=N1.CCCOc1ccc(C(C)(C)C)cc1.CCN(CC)c1ccc(C(C)(C)C)cc1.CCOc1ccc(C(C)(C)C)cc1.COC1CCN(C(C)C)C1.COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine?
The InChIKey is MMHCYGTWWSFYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C14H23N.C13H18O2.C13H20O.C12H18O.C11H22N2O.C11H20N2.C11H16O.C10H13F.C10H12N2.C10H14O.C10H14.C9H17N3O.C9H18N2O.C9H19N.2C8H18N2.2C8H17NO.C8H17N.C8H13N.2C7H12N2.C7H15NO2S.C7H15NOS.C7H15NS.C6H12N2O/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5;1-10(14)9-15-12-7-5-11(6-8-12)13(2,3)4;1-5-10-14-12-8-6-11(7-9-12)13(2,3)4;1-5-13-11-8-6-10(7-9-11)12(2,3)4;1-5-10(14)12-6-8-13(9-7-12)11(2,3)4;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)8-5-4-6-9(11)7-8;1-8(2)9-3-4-10-5-11-7-12(10)6-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-4-9(13)12-6-5-11(7-10-12)8(2)3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-9(2,3)10-7-5-4-6-8-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2)9-5-4-8(6-9)10-3;2*1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2)8-3-5-11(9,10)6-4-8;1-7(2)8-3-5-10(9)6-4-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-3-4-9-7-5-8/h4-7H,8-11H2,1-3H3;8-11H,6-7H2,1-5H3;5-8H,9H2,1-4H3;6-9H,5,10H2,1-4H3;6-9H,5H2,1-4H3;5-9H2,1-4H3;1H,6-10H2,2-4H3;5-8H,1-4H3;4-7H,1-3H3;3-8H,1-2H3;4-7,11H,1-3H3;4-8H,1-3H3;7-8H,4-6H2,1-3H3;8H,4-7H2,1-3H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7-8H,4-6H2,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine?
tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine has a molecular weight of 4317.77 g/mol, XLogP of 50.77, 26 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine is sourced from PubChem (CID 159607681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).