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

C201H330FN25O2S — CID 158077278

IUPAC2-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
SMILESCC(C)c1cc(C(C)(C)C)ccn1.CC(C)c1cc(C(C)(C)C)ncn1.CC(C)c1ccc(C(C)(C)C)n1C.CC(C)c1ccc(C(C)(C)C)nn1.CC(C)c1ccc(F)c(C(C)(C)C)c1.CC(C)c1cccn1C(C)(C)C.CC(C)c1ccn(C(C)(C)C)c1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C2CC2)n1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1ccoc1C(C)(C)C.CC(C)c1ccsc1C(C)(C)C.CC(C)c1cnc(C(C)(C)C)cn1.CC(C)c1nc(C(C)(C)C)nc(C(C)(C)C)n1.CC(C)c1ncc(C(C)(C)C)cn1.CCCN(C)c1cccc(C(C)C)n1.CCCc1cccc(C(C)C)n1.COC(C)(C)c1cc(C(C)C)ccn1
InChIInChI=1S/C14H25N3.C13H19F.C12H20N2.C12H19NO.C12H21N.C12H19N.5C11H18N2.2C11H19N.C11H17N.C11H18O.C11H18S.C9H14N2.C7H12N2/c1-9(2)10-15-11(13(3,4)5)17-12(16-10)14(6,7)8;1-9(2)10-6-7-12(14)11(8-10)13(3,4)5;1-5-9-14(4)12-8-6-7-11(13-12)10(2)3;1-9(2)10-6-7-13-11(8-10)12(3,4)14-5;1-9(2)10-7-8-11(13(10)6)12(3,4)5;1-9(2)11-8-10(6-7-13-11)12(3,4)5;1-8(2)9-6-13-10(7-12-9)11(3,4)5;1-8(2)9-6-10(11(3,4)5)13-7-12-9;1-8(2)10-12-6-9(7-13-10)11(3,4)5;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-8(2)9-6-7-10(13-12-9)11(3,4)5;1-9(2)10-6-7-12(8-10)11(3,4)5;1-9(2)10-7-6-8-12(10)11(3,4)5;1-4-6-10-7-5-8-11(12-10)9(2)3;2*1-8(2)9-6-7-12-10(9)11(3,4)5;1-7(2)9-5-6-11(10-9)8-3-4-8;1-6(2)7-4-5-9(3)8-7/h9H,1-8H3;6-9H,1-5H3;6-8,10H,5,9H2,1-4H3;6-9H,1-5H3;7-9H,1-6H3;6-9H,1-5H3;5*6-8H,1-5H3;2*6-9H,1-5H3;5,7-9H,4,6H2,1-3H3;2*6-8H,1-5H3;5-8H,3-4H2,1-2H3;4-6H,1-3H3
InChIKeyFMNIBLGYNAHHJT-UHFFFAOYSA-N
MW3180.09 g/mol
LogP57.06
Rot. Bonds26

About 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

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 (PubChem CID 158077278) has the molecular formula C201H330FN25O2S and a molecular weight of 3180.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158077278
Molecular FormulaC201H330FN25O2S
Molecular Weight3180.09 g/mol
Exact Mass3177.62
IUPAC Name2-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
SMILESCC(C)c1cc(C(C)(C)C)ccn1.CC(C)c1cc(C(C)(C)C)ncn1.CC(C)c1ccc(C(C)(C)C)n1C.CC(C)c1ccc(C(C)(C)C)nn1.CC(C)c1ccc(F)c(C(C)(C)C)c1.CC(C)c1cccn1C(C)(C)C.CC(C)c1ccn(C(C)(C)C)c1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C2CC2)n1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1ccoc1C(C)(C)C.CC(C)c1ccsc1C(C)(C)C.CC(C)c1cnc(C(C)(C)C)cn1.CC(C)c1nc(C(C)(C)C)nc(C(C)(C)C)n1.CC(C)c1ncc(C(C)(C)C)cn1.CCCN(C)c1cccc(C(C)C)n1.CCCc1cccc(C(C)C)n1.COC(C)(C)c1cc(C(C)C)ccn1
InChIInChI=1S/C14H25N3.C13H19F.C12H20N2.C12H19NO.C12H21N.C12H19N.5C11H18N2.2C11H19N.C11H17N.C11H18O.C11H18S.C9H14N2.C7H12N2/c1-9(2)10-15-11(13(3,4)5)17-12(16-10)14(6,7)8;1-9(2)10-6-7-12(14)11(8-10)13(3,4)5;1-5-9-14(4)12-8-6-7-11(13-12)10(2)3;1-9(2)10-6-7-13-11(8-10)12(3,4)14-5;1-9(2)10-7-8-11(13(10)6)12(3,4)5;1-9(2)11-8-10(6-7-13-11)12(3,4)5;1-8(2)9-6-13-10(7-12-9)11(3,4)5;1-8(2)9-6-10(11(3,4)5)13-7-12-9;1-8(2)10-12-6-9(7-13-10)11(3,4)5;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-8(2)9-6-7-10(13-12-9)11(3,4)5;1-9(2)10-6-7-12(8-10)11(3,4)5;1-9(2)10-7-6-8-12(10)11(3,4)5;1-4-6-10-7-5-8-11(12-10)9(2)3;2*1-8(2)9-6-7-12-10(9)11(3,4)5;1-7(2)9-5-6-11(10-9)8-3-4-8;1-6(2)7-4-5-9(3)8-7/h9H,1-8H3;6-9H,1-5H3;6-8,10H,5,9H2,1-4H3;6-9H,1-5H3;7-9H,1-6H3;6-9H,1-5H3;5*6-8H,1-5H3;2*6-9H,1-5H3;5,7-9H,4,6H2,1-3H3;2*6-8H,1-5H3;5-8H,3-4H2,1-2H3;4-6H,1-3H3
InChIKeyFMNIBLGYNAHHJT-UHFFFAOYSA-N
XLogP57.06
TPSA295.17 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003180.09
LogP ≤ 557.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;cumene;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;methane;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole
CID 157989358
2,5-Dimethylfuran;2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,4-dimethylpyridazine;3,5-dimethylpyridazine;3,6-dimethylpyridazine;4,5-dimethylpyridazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,6-dimethylpyrimidine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;2,3,4,5-tetramethylpyridine;2,4,5,6-tetramethylpyrimidine;2,3,5-trimethylpyrazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyrimidine;2,4,6-trimethylpyrimidine;2,4,6-trimethyl-1,3,5-triazine
CID 158067061
[2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 158118973
2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2,5-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;3-tert-butylpyridine;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-difluoropropyl)-4-propan-2-yltriazole;2,4-dimethyl-1-propan-2-ylimidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;4-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole
CID 158946007
methane;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;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;1-propan-2-ylpyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole;bis(4-propan-2-yl-2H-triazole)
CID 157055801
1,3-Di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane
CID 157114795
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157116552
1-Fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylfuran;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-ylthiophene;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 157158020
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;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 157182796
2,5-Di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);3,6-di(propan-2-yl)pyridazine;bis(2,4-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyridine);2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);bis(2,5-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene
CID 157281708
1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157283462
cumene;2-hydrazinylidene-4-methylpentan-1-imine;docosakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;4-(2-methylpropyl)-1,2,4-triazole;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 157284470

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(C(C)(C)C)ccn1.CC(C)c1cc(C(C)(C)C)ncn1.CC(C)c1ccc(C(C)(C)C)n1C.CC(C)c1ccc(C(C)(C)C)nn1.CC(C)c1ccc(F)c(C(C)(C)C)c1.CC(C)c1cccn1C(C)(C)C.CC(C)c1ccn(C(C)(C)C)c1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C2CC2)n1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1ccoc1C(C)(C)C.CC(C)c1ccsc1C(C)(C)C.CC(C)c1cnc(C(C)(C)C)cn1.CC(C)c1nc(C(C)(C)C)nc(C(C)(C)C)n1.CC(C)c1ncc(C(C)(C)C)cn1.CCCN(C)c1cccc(C(C)C)n1.CCCc1cccc(C(C)C)n1.COC(C)(C)c1cc(C(C)C)ccn1.
What is the InChIKey of 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?
The InChIKey is FMNIBLGYNAHHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3.C13H19F.C12H20N2.C12H19NO.C12H21N.C12H19N.5C11H18N2.2C11H19N.C11H17N.C11H18O.C11H18S.C9H14N2.C7H12N2/c1-9(2)10-15-11(13(3,4)5)17-12(16-10)14(6,7)8;1-9(2)10-6-7-12(14)11(8-10)13(3,4)5;1-5-9-14(4)12-8-6-7-11(13-12)10(2)3;1-9(2)10-6-7-13-11(8-10)12(3,4)14-5;1-9(2)10-7-8-11(13(10)6)12(3,4)5;1-9(2)11-8-10(6-7-13-11)12(3,4)5;1-8(2)9-6-13-10(7-12-9)11(3,4)5;1-8(2)9-6-10(11(3,4)5)13-7-12-9;1-8(2)10-12-6-9(7-13-10)11(3,4)5;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-8(2)9-6-7-10(13-12-9)11(3,4)5;1-9(2)10-6-7-12(8-10)11(3,4)5;1-9(2)10-7-6-8-12(10)11(3,4)5;1-4-6-10-7-5-8-11(12-10)9(2)3;2*1-8(2)9-6-7-12-10(9)11(3,4)5;1-7(2)9-5-6-11(10-9)8-3-4-8;1-6(2)7-4-5-9(3)8-7/h9H,1-8H3;6-9H,1-5H3;6-8,10H,5,9H2,1-4H3;6-9H,1-5H3;7-9H,1-6H3;6-9H,1-5H3;5*6-8H,1-5H3;2*6-9H,1-5H3;5,7-9H,4,6H2,1-3H3;2*6-8H,1-5H3;5-8H,3-4H2,1-2H3;4-6H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 3180.09 g/mol, XLogP of 57.06, 26 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158077278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).