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

C172H274N22O12S2 — CID 157409591

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;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
SMILESCC(C)(C)c1ccoc1.CC(C)(C)c1cnc(N2CCOCC2)s1.CC(C)(C)n1cccn1.CC(C)C1=CCCN(C)C1.CC(C)CCCN1CCOCC1.CC(C)c1cc(N2CCOCC2)ncn1.CC(C)c1ccc(Cn2cnnn2)cc1.CC(C)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(O)cc1.CC(C)c1ccc(OCCCN2CCOCC2)cc1.CC(C)c1cccc(CNCCN2CCOCC2)c1.CC(C)c1ccccc1OCCN1CCOCC1.Cc1cscc1C(C)(C)C.Cn1cccc1C(C)(C)C
InChIInChI=1S/C18H28N2O2.C16H26N2O.C16H25NO2.C15H23NO2.C13H20N2.C11H14N4.C11H17N3O.C11H18N2OS.C10H21NO.C9H15N.C9H17N.C9H12O.C9H14S.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;1-14(2)16-5-3-4-15(12-16)13-17-6-7-18-8-10-19-11-9-18;1-14(2)15-4-6-16(7-5-15)19-11-3-8-17-9-12-18-13-10-17;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;1-9(2)11-5-3-10(4-6-11)7-15-8-12-13-14-15;1-9(2)10-7-11(13-8-12-10)14-3-5-15-6-4-14;1-11(2,3)9-8-12-10(15-9)13-4-6-14-7-5-13;1-10(2)4-3-5-11-6-8-12-9-7-11;1-9(2,3)8-6-5-7-10(8)4;1-8(2)9-5-4-6-10(3)7-9;1-7(2)8-3-5-9(10)6-4-8;1-7-5-10-6-8(7)9(2,3)4;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;3-5,12,14,17H,6-11,13H2,1-2H3;4-7,14H,3,8-13H2,1-2H3;3-6,13H,7-12H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-6,8-9H,7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,4-7H2,1-3H3;10H,3-9H2,1-2H3;5-7H,1-4H3;5,8H,4,6-7H2,1-3H3;3-7,10H,1-2H3;5-6H,1-4H3;2*4-6H,1-3H3
InChIKeyBOCSRRVUBBYDBY-UHFFFAOYSA-N
MW2906.36 g/mol
LogP35.38
Rot. Bonds33

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;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

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 (PubChem CID 157409591) has the molecular formula C172H274N22O12S2 and a molecular weight of 2906.36 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;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.

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;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
PubChem CID157409591
Molecular FormulaC172H274N22O12S2
Molecular Weight2906.36 g/mol
Exact Mass2904.09
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;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
SMILESCC(C)(C)c1ccoc1.CC(C)(C)c1cnc(N2CCOCC2)s1.CC(C)(C)n1cccn1.CC(C)C1=CCCN(C)C1.CC(C)CCCN1CCOCC1.CC(C)c1cc(N2CCOCC2)ncn1.CC(C)c1ccc(Cn2cnnn2)cc1.CC(C)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(O)cc1.CC(C)c1ccc(OCCCN2CCOCC2)cc1.CC(C)c1cccc(CNCCN2CCOCC2)c1.CC(C)c1ccccc1OCCN1CCOCC1.Cc1cscc1C(C)(C)C.Cn1cccc1C(C)(C)C
InChIInChI=1S/C18H28N2O2.C16H26N2O.C16H25NO2.C15H23NO2.C13H20N2.C11H14N4.C11H17N3O.C11H18N2OS.C10H21NO.C9H15N.C9H17N.C9H12O.C9H14S.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;1-14(2)16-5-3-4-15(12-16)13-17-6-7-18-8-10-19-11-9-18;1-14(2)15-4-6-16(7-5-15)19-11-3-8-17-9-12-18-13-10-17;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;1-9(2)11-5-3-10(4-6-11)7-15-8-12-13-14-15;1-9(2)10-7-11(13-8-12-10)14-3-5-15-6-4-14;1-11(2,3)9-8-12-10(15-9)13-4-6-14-7-5-13;1-10(2)4-3-5-11-6-8-12-9-7-11;1-9(2,3)8-6-5-7-10(8)4;1-8(2)9-5-4-6-10(3)7-9;1-7(2)8-3-5-9(10)6-4-8;1-7-5-10-6-8(7)9(2,3)4;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;3-5,12,14,17H,6-11,13H2,1-2H3;4-7,14H,3,8-13H2,1-2H3;3-6,13H,7-12H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-6,8-9H,7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,4-7H2,1-3H3;10H,3-9H2,1-2H3;5-7H,1-4H3;5,8H,4,6-7H2,1-3H3;3-7,10H,1-2H3;5-6H,1-4H3;2*4-6H,1-3H3
InChIKeyBOCSRRVUBBYDBY-UHFFFAOYSA-N
XLogP35.38
TPSA294.99 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds33
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002906.36
LogP ≤ 535.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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;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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,5-ditert-butylpyridine;bis(4,6-ditert-butyl-1H-pyridin-2-one);2,5-ditert-butylpyrimidine;2,4-ditert-butyl-3H-pyrrole;3,5-ditert-butyl-2H-pyrrole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene
CID 157388799
2,4-Dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene
CID 158347216
Bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole
CID 158759698
bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;3-tert-butylimidazo[1,2-b]pyridazine;1-tert-butylimidazole;6-tert-butyl-1H-indazole-4-carboxylic acid;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tetrakis(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)ethanol;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole;5-propan-2-ylpyrimidine
CID 159090628
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
(3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-(6-methoxypyrazin-2-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];N-methyl-5-(2-methylspiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)pyrimidin-4-amine;2-methyl-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-ol;N-methyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine;(3R)-2'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 159878981
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
Bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;4-tert-butyl-1-methylpyrazole;tris(5-tert-butyl-2-methylpyridine);3-tert-butyl-1-methylpyrrole;1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole
CID 160035308
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
1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1,3-oxazole);1,4-di(propan-2-yl)piperazine;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole
CID 160475332
3-tert-butylfuran;5-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;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;2-fluoro-5-propan-2-ylpyridine;4-(4-methylpentyl)morpholine;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 160506374

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;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?
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;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) 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;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.
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;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?
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;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 is CC(C)(C)c1ccoc1.CC(C)(C)c1cnc(N2CCOCC2)s1.CC(C)(C)n1cccn1.CC(C)C1=CCCN(C)C1.CC(C)CCCN1CCOCC1.CC(C)c1cc(N2CCOCC2)ncn1.CC(C)c1ccc(Cn2cnnn2)cc1.CC(C)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(O)cc1.CC(C)c1ccc(OCCCN2CCOCC2)cc1.CC(C)c1cccc(CNCCN2CCOCC2)c1.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;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?
The InChIKey is BOCSRRVUBBYDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.C16H26N2O.C16H25NO2.C15H23NO2.C13H20N2.C11H14N4.C11H17N3O.C11H18N2OS.C10H21NO.C9H15N.C9H17N.C9H12O.C9H14S.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;1-14(2)16-5-3-4-15(12-16)13-17-6-7-18-8-10-19-11-9-18;1-14(2)15-4-6-16(7-5-15)19-11-3-8-17-9-12-18-13-10-17;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;1-9(2)11-5-3-10(4-6-11)7-15-8-12-13-14-15;1-9(2)10-7-11(13-8-12-10)14-3-5-15-6-4-14;1-11(2,3)9-8-12-10(15-9)13-4-6-14-7-5-13;1-10(2)4-3-5-11-6-8-12-9-7-11;1-9(2,3)8-6-5-7-10(8)4;1-8(2)9-5-4-6-10(3)7-9;1-7(2)8-3-5-9(10)6-4-8;1-7-5-10-6-8(7)9(2,3)4;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;3-5,12,14,17H,6-11,13H2,1-2H3;4-7,14H,3,8-13H2,1-2H3;3-6,13H,7-12H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;3-6,8-9H,7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,4-7H2,1-3H3;10H,3-9H2,1-2H3;5-7H,1-4H3;5,8H,4,6-7H2,1-3H3;3-7,10H,1-2H3;5-6H,1-4H3;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;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?
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 has a molecular weight of 2906.36 g/mol, XLogP of 35.38, 33 rotatable bonds, 3 hydrogen bond donors, and 35 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;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 is sourced from PubChem (CID 157409591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).