3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-[(4-propan-2-ylphenyl)methyl]tetrazole;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine

C134H204FN17O7S — CID 159815952

IUPAC3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-[(4-propan-2-ylphenyl)methyl]tetrazole;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine
SMILESCC(C)(C)c1ccoc1.CC(C)(C)n1cccn1.CC(C)CCCN1CCOCC1.CC(C)c1ccc(Cn2ccnc2)cc1.CC(C)c1ccc(Cn2cnnn2)cc1.CC(C)c1ccc(F)nc1.CC(C)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccccc1OCCN1CCOCC1.Cc1cscc1C(C)(C)C.Cn1cccc1C(C)(C)C
InChIInChI=1S/C18H28N2O2.C15H23NO2.C13H20N2.C13H16N2.C13H19NO.C11H14N4.C10H21NO.C9H15N.C9H14S.C8H10FN.C8H12O.C7H12N2/c1-14(2)15-6-8-16(9-7-15)19-10-12-20(13-11-19)17(21)22-18(3,4)5;1-13(2)14-5-3-4-6-15(14)18-12-9-16-7-10-17-11-8-16;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-9(2)11-5-3-10(4-6-11)7-15-8-12-13-14-15;1-10(2)4-3-5-11-6-8-12-9-7-11;1-9(2,3)8-6-5-7-10(8)4;1-7-5-10-6-8(7)9(2,3)4;1-6(2)7-3-4-8(9)10-5-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)9-6-4-5-8-9/h6-9,14H,10-13H2,1-5H3;3-6,13H,7-12H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-8,10-11H,9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-6,8-9H,7H2,1-2H3;10H,3-9H2,1-2H3;5-7H,1-4H3;5-6H,1-4H3;3-6H,1-2H3;2*4-6H,1-3H3
InChIKeyNLPVAHZODKAUPC-UHFFFAOYSA-N
MW2216.28 g/mol
LogP30.14
Rot. Bonds22

About 3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-[(4-propan-2-ylphenyl)methyl]tetrazole;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine

3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-[(4-propan-2-ylphenyl)methyl]tetrazole;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine (PubChem CID 159815952) has the molecular formula C134H204FN17O7S and a molecular weight of 2216.28 g/mol. Its IUPAC name is 3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-[(4-propan-2-ylphenyl)methyl]tetrazole;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-[(4-propan-2-ylphenyl)methyl]tetrazole;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine
PubChem CID159815952
Molecular FormulaC134H204FN17O7S
Molecular Weight2216.28 g/mol
Exact Mass2214.58
IUPAC Name3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-[(4-propan-2-ylphenyl)methyl]tetrazole;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine
SMILESCC(C)(C)c1ccoc1.CC(C)(C)n1cccn1.CC(C)CCCN1CCOCC1.CC(C)c1ccc(Cn2ccnc2)cc1.CC(C)c1ccc(Cn2cnnn2)cc1.CC(C)c1ccc(F)nc1.CC(C)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccccc1OCCN1CCOCC1.Cc1cscc1C(C)(C)C.Cn1cccc1C(C)(C)C
InChIInChI=1S/C18H28N2O2.C15H23NO2.C13H20N2.C13H16N2.C13H19NO.C11H14N4.C10H21NO.C9H15N.C9H14S.C8H10FN.C8H12O.C7H12N2/c1-14(2)15-6-8-16(9-7-15)19-10-12-20(13-11-19)17(21)22-18(3,4)5;1-13(2)14-5-3-4-6-15(14)18-12-9-16-7-10-17-11-8-16;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-9(2)11-5-3-10(4-6-11)7-15-8-12-13-14-15;1-10(2)4-3-5-11-6-8-12-9-7-11;1-9(2,3)8-6-5-7-10(8)4;1-7-5-10-6-8(7)9(2,3)4;1-6(2)7-3-4-8(9)10-5-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)9-6-4-5-8-9/h6-9,14H,10-13H2,1-5H3;3-6,13H,7-12H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-8,10-11H,9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-6,8-9H,7H2,1-2H3;10H,3-9H2,1-2H3;5-7H,1-4H3;5-6H,1-4H3;3-6H,1-2H3;2*4-6H,1-3H3
InChIKeyNLPVAHZODKAUPC-UHFFFAOYSA-N
XLogP30.14
TPSA204.89 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002216.28
LogP ≤ 530.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-[(4-propan-2-ylphenyl)methyl]tetrazole;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine with MolForge

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Related Compounds

1-tert-butyl-4-propan-2-ylcyclohexane;2-tert-butyl-5-propan-2-ylthiophene;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;3,4-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)cyclohexane;1-ethyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-2H-pyrrole;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2,2,3-trimethylbutan-1-ol
CID 161694450
3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;4-(4-methylpentyl)morpholine;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;2-morpholin-4-yl-N-[(3-propan-2-ylphenyl)methyl]ethanamine;4-propan-2-ylphenol;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]tetrazole;1-(4-propan-2-ylphenyl)piperazine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine
CID 157409591
(5S)-5-ethyl-3-[3-fluoro-4-(furan-3-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-(1H-pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one
CID 157531935
5-ethyl-3-[3-fluoro-4-(furan-3-yl)phenyl]-1,3-oxazolidin-2-one;5-ethyl-3-[3-fluoro-4-(1H-pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;5-ethyl-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one;5-ethyl-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one;5-ethyl-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-1,3-oxazolidin-2-one;5-ethyl-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one
CID 157531942
1-(3,3-dimethylbutyl)imidazole;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrazole;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidin-2-one;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)morpholine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-tetrazole;3-(2,2-dimethylpropyl)thiophene
CID 158037879
2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-1-methyl-5-propan-2-ylpyrrole;2-tert-butyl-3-propan-2-ylfuran;2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-propan-2-ylpyrrole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-3-propan-2-ylthiophene;1-cyclopropyl-3-propan-2-ylpyrazole;2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;2-propan-2-yl-6-propylpyridine
CID 158077278
cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;octadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 158531170
1-tert-butyl-2-benzofuran;3-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine;4-tert-butyltriazine;5-tert-butyltriazine;5-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;1-tert-butyltriazole;4-tert-butyl-2H-triazole
CID 159701968
6-(N-methylanilino)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(1-methyl-2-pyrrolidin-3-ylpyrrol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-[(1-methyl-5-pyridin-4-yltriazol-4-yl)methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[5-(oxan-4-yl)pyridazin-4-yl]methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 160034758
N-tert-butylacetamide;tert-butylbenzene;4-tert-butylbenzoic acid;2-tert-butylfuran;bis(N-tert-butylmethanesulfonamide);1-tert-butyl-4-methylbenzene;N-tert-butyl-2-methylpropanamide;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;1-(4-tert-butylphenyl)ethanone;3-tert-butyl-2-prop-1-en-2-ylthiophene;bis(3-tert-butylpyridine);5-tert-butylpyridine-2-carboxylic acid;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene;1-tert-butyltriazole;2,5-dimethylphenol;3-methyl-N-propan-2-ylbutanamide;1-propan-2-ylimidazole;toluene
CID 160090685
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[3,5-dimethyl-1-(2H-pyrrol-4-yl)pyrazol-4-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(1-methyl-4-pyridin-3-ylimidazol-2-yl)-8-phenylpyrido[2,3-d]pyrimidin-7-one
CID 160234682
2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;1,5-di(propan-2-yl)pyridin-2-one;2,4-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-3,5-di(propan-2-yl)pyrazole
CID 160344429

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-[(4-propan-2-ylphenyl)methyl]tetrazole;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine?
The IUPAC name of 3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-[(4-propan-2-ylphenyl)methyl]tetrazole;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine (CID 159815952) is 3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-[(4-propan-2-ylphenyl)methyl]tetrazole;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-[(4-propan-2-ylphenyl)methyl]tetrazole;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine?
The canonical SMILES for 3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-[(4-propan-2-ylphenyl)methyl]tetrazole;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine is CC(C)(C)c1ccoc1.CC(C)(C)n1cccn1.CC(C)CCCN1CCOCC1.CC(C)c1ccc(Cn2ccnc2)cc1.CC(C)c1ccc(Cn2cnnn2)cc1.CC(C)c1ccc(F)nc1.CC(C)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccccc1OCCN1CCOCC1.Cc1cscc1C(C)(C)C.Cn1cccc1C(C)(C)C.
What is the InChIKey of 3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-[(4-propan-2-ylphenyl)methyl]tetrazole;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine?
The InChIKey is NLPVAHZODKAUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.C15H23NO2.C13H20N2.C13H16N2.C13H19NO.C11H14N4.C10H21NO.C9H15N.C9H14S.C8H10FN.C8H12O.C7H12N2/c1-14(2)15-6-8-16(9-7-15)19-10-12-20(13-11-19)17(21)22-18(3,4)5;1-13(2)14-5-3-4-6-15(14)18-12-9-16-7-10-17-11-8-16;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-9(2)11-5-3-10(4-6-11)7-15-8-12-13-14-15;1-10(2)4-3-5-11-6-8-12-9-7-11;1-9(2,3)8-6-5-7-10(8)4;1-7-5-10-6-8(7)9(2,3)4;1-6(2)7-3-4-8(9)10-5-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)9-6-4-5-8-9/h6-9,14H,10-13H2,1-5H3;3-6,13H,7-12H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-8,10-11H,9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-6,8-9H,7H2,1-2H3;10H,3-9H2,1-2H3;5-7H,1-4H3;5-6H,1-4H3;3-6H,1-2H3;2*4-6H,1-3H3.
What are the key properties of 3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-[(4-propan-2-ylphenyl)methyl]tetrazole;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine?
3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-[(4-propan-2-ylphenyl)methyl]tetrazole;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine has a molecular weight of 2216.28 g/mol, XLogP of 30.14, 22 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-[(4-propan-2-ylphenyl)methyl]tetrazole;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 159815952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).