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-fluoro-5-propan-2-ylphenyl)propan-2-ol;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;2-[methyl-(6-propan-2-yl-2-pyridinyl)amino]ethanol;2-(6-propan-2-yl-2-pyridinyl)ethanol

C198H324FN25O5S — CID 158434380

IUPAC2-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-fluoro-5-propan-2-ylphenyl)propan-2-ol;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;2-[methyl-(6-propan-2-yl-2-pyridinyl)amino]ethanol;2-(6-propan-2-yl-2-pyridinyl)ethanol
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)O)c1.CC(C)c1cccc(CCO)n1.CC(C)c1cccc(N(C)CCO)n1.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.COC(C)(C)c1cc(C(C)C)ccn1
InChIInChI=1S/C14H25N3.C12H17FO.C12H19NO.C12H21N.C12H19N.C11H18N2O.5C11H18N2.2C11H19N.C11H18O.C11H18S.C10H15NO.C9H14N2.C7H12N2/c1-9(2)10-15-11(13(3,4)5)17-12(16-10)14(6,7)8;1-8(2)9-5-6-11(13)10(7-9)12(3,4)14;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;1-9(2)10-5-4-6-11(12-10)13(3)7-8-14;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;2*1-8(2)9-6-7-12-10(9)11(3,4)5;1-8(2)10-5-3-4-9(11-10)6-7-12;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;5-8,14H,1-4H3;6-9H,1-5H3;7-9H,1-6H3;6-9H,1-5H3;4-6,9,14H,7-8H2,1-3H3;5*6-8H,1-5H3;2*6-9H,1-5H3;2*6-8H,1-5H3;3-5,8,12H,6-7H2,1-2H3;5-8H,3-4H2,1-2H3;4-6H,1-3H3
InChIKeyHCAUJAJQRMLRCF-UHFFFAOYSA-N
MW3186.00 g/mol
LogP53.15
Rot. Bonds27

About 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-fluoro-5-propan-2-ylphenyl)propan-2-ol;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;2-[methyl-(6-propan-2-yl-2-pyridinyl)amino]ethanol;2-(6-propan-2-yl-2-pyridinyl)ethanol

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-fluoro-5-propan-2-ylphenyl)propan-2-ol;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;2-[methyl-(6-propan-2-yl-2-pyridinyl)amino]ethanol;2-(6-propan-2-yl-2-pyridinyl)ethanol (PubChem CID 158434380) has the molecular formula C198H324FN25O5S and a molecular weight of 3186.00 g/mol. Its IUPAC name is 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-fluoro-5-propan-2-ylphenyl)propan-2-ol;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;2-[methyl-(6-propan-2-yl-2-pyridinyl)amino]ethanol;2-(6-propan-2-yl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-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-fluoro-5-propan-2-ylphenyl)propan-2-ol;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;2-[methyl-(6-propan-2-yl-2-pyridinyl)amino]ethanol;2-(6-propan-2-yl-2-pyridinyl)ethanol
PubChem CID158434380
Molecular FormulaC198H324FN25O5S
Molecular Weight3186.00 g/mol
Exact Mass3183.56
IUPAC Name2-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-fluoro-5-propan-2-ylphenyl)propan-2-ol;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;2-[methyl-(6-propan-2-yl-2-pyridinyl)amino]ethanol;2-(6-propan-2-yl-2-pyridinyl)ethanol
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)O)c1.CC(C)c1cccc(CCO)n1.CC(C)c1cccc(N(C)CCO)n1.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.COC(C)(C)c1cc(C(C)C)ccn1
InChIInChI=1S/C14H25N3.C12H17FO.C12H19NO.C12H21N.C12H19N.C11H18N2O.5C11H18N2.2C11H19N.C11H18O.C11H18S.C10H15NO.C9H14N2.C7H12N2/c1-9(2)10-15-11(13(3,4)5)17-12(16-10)14(6,7)8;1-8(2)9-5-6-11(13)10(7-9)12(3,4)14;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;1-9(2)10-5-4-6-11(12-10)13(3)7-8-14;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;2*1-8(2)9-6-7-12-10(9)11(3,4)5;1-8(2)10-5-3-4-9(11-10)6-7-12;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;5-8,14H,1-4H3;6-9H,1-5H3;7-9H,1-6H3;6-9H,1-5H3;4-6,9,14H,7-8H2,1-3H3;5*6-8H,1-5H3;2*6-9H,1-5H3;2*6-8H,1-5H3;3-5,8,12H,6-7H2,1-2H3;5-8H,3-4H2,1-2H3;4-6H,1-3H3
InChIKeyHCAUJAJQRMLRCF-UHFFFAOYSA-N
XLogP53.15
TPSA355.86 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003186.00
LogP ≤ 553.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Analyze 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-fluoro-5-propan-2-ylphenyl)propan-2-ol;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;2-[methyl-(6-propan-2-yl-2-pyridinyl)amino]ethanol;2-(6-propan-2-yl-2-pyridinyl)ethanol with MolForge

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Related Compounds

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
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
tert-butylbenzene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;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;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;methane
CID 157288239
cumene;icosakis(2-methylpropane);2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;bis(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;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole
CID 157318180
2-Tert-butylfuran;3-tert-butylfuran;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butylthiophene;3-tert-butylthiophene;ethane
CID 157547111
cumene;2,3-dimethylbutane;N,N-dimethylpropan-2-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-(2-fluoro-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;methane;2-methylbutane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;3-propan-2-ylfuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene;1-propan-2-yl-3-[(3S)-3,4,4-trimethylpentyl]benzene;2,2,3-trimethylbutane
CID 157577189
CID 157796294
CID 157796294
2-(azidomethyl)-4-propan-2-ylpyridine;4-tert-butyl-2-ethoxypyridine;1-cyclopropyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;2,6-dimethyl-4-propan-2-ylpyridine;1-ethyl-4-propan-2-ylpyrazole;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;tris(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-pyrrole
CID 157828103
Ethane;methane;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;2-methylthiophene;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;toluene
CID 157900253
cumene;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;4-(2-methylpropyl)-2H-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 157997535
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

Frequently Asked Questions

What is the IUPAC name of 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-fluoro-5-propan-2-ylphenyl)propan-2-ol;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;2-[methyl-(6-propan-2-yl-2-pyridinyl)amino]ethanol;2-(6-propan-2-yl-2-pyridinyl)ethanol?
The IUPAC name of 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-fluoro-5-propan-2-ylphenyl)propan-2-ol;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;2-[methyl-(6-propan-2-yl-2-pyridinyl)amino]ethanol;2-(6-propan-2-yl-2-pyridinyl)ethanol (CID 158434380) is 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-fluoro-5-propan-2-ylphenyl)propan-2-ol;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;2-[methyl-(6-propan-2-yl-2-pyridinyl)amino]ethanol;2-(6-propan-2-yl-2-pyridinyl)ethanol.
What is the SMILES notation for 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-fluoro-5-propan-2-ylphenyl)propan-2-ol;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;2-[methyl-(6-propan-2-yl-2-pyridinyl)amino]ethanol;2-(6-propan-2-yl-2-pyridinyl)ethanol?
The canonical SMILES for 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-fluoro-5-propan-2-ylphenyl)propan-2-ol;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;2-[methyl-(6-propan-2-yl-2-pyridinyl)amino]ethanol;2-(6-propan-2-yl-2-pyridinyl)ethanol 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)O)c1.CC(C)c1cccc(CCO)n1.CC(C)c1cccc(N(C)CCO)n1.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.COC(C)(C)c1cc(C(C)C)ccn1.
What is the InChIKey of 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-fluoro-5-propan-2-ylphenyl)propan-2-ol;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;2-[methyl-(6-propan-2-yl-2-pyridinyl)amino]ethanol;2-(6-propan-2-yl-2-pyridinyl)ethanol?
The InChIKey is HCAUJAJQRMLRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3.C12H17FO.C12H19NO.C12H21N.C12H19N.C11H18N2O.5C11H18N2.2C11H19N.C11H18O.C11H18S.C10H15NO.C9H14N2.C7H12N2/c1-9(2)10-15-11(13(3,4)5)17-12(16-10)14(6,7)8;1-8(2)9-5-6-11(13)10(7-9)12(3,4)14;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;1-9(2)10-5-4-6-11(12-10)13(3)7-8-14;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;2*1-8(2)9-6-7-12-10(9)11(3,4)5;1-8(2)10-5-3-4-9(11-10)6-7-12;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;5-8,14H,1-4H3;6-9H,1-5H3;7-9H,1-6H3;6-9H,1-5H3;4-6,9,14H,7-8H2,1-3H3;5*6-8H,1-5H3;2*6-9H,1-5H3;2*6-8H,1-5H3;3-5,8,12H,6-7H2,1-2H3;5-8H,3-4H2,1-2H3;4-6H,1-3H3.
What are the key properties of 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-fluoro-5-propan-2-ylphenyl)propan-2-ol;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;2-[methyl-(6-propan-2-yl-2-pyridinyl)amino]ethanol;2-(6-propan-2-yl-2-pyridinyl)ethanol?
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-fluoro-5-propan-2-ylphenyl)propan-2-ol;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;2-[methyl-(6-propan-2-yl-2-pyridinyl)amino]ethanol;2-(6-propan-2-yl-2-pyridinyl)ethanol has a molecular weight of 3186.00 g/mol, XLogP of 53.15, 27 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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-fluoro-5-propan-2-ylphenyl)propan-2-ol;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;2-[methyl-(6-propan-2-yl-2-pyridinyl)amino]ethanol;2-(6-propan-2-yl-2-pyridinyl)ethanol is sourced from PubChem (CID 158434380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).