cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene

C253H408N26O10S9 — CID 159607889

IUPACcumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene
SMILESC.C.C.C.C.C.C.C.CC(C)C1=CCC=N1.CC(C)c1ccc(CCN2CCOCC2)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCCC2)cn1.CC(C)c1cccc(CN2CCCC2)c1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccs1.CC(C)c1nc(CN2CCOCC2)cs1.CC(C)c1ncc(CN2CCCCC2)s1.CC(C)c1nccs1.CC(C)c1nncs1.CCC(O)COc1cc(C(C)C)ccn1.CCC(O)COc1ccc(C(C)C)cc1.CCC(O)COc1cccc(C(C)C)c1.CCC(O)COc1cccc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cnc(C(C)C)s1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.Cc1nnc(C(C)C)s1
InChIInChI=1S/C15H23NO.C14H22N2.2C14H21N.2C13H20N2.2C13H20O2.C12H20N2S.2C12H19NO2.C11H18N2OS.C10H15N.C10H14.C9H12.C8H11N.3C7H11NS.C7H11N.C7H10S.C6H10N2S.C6H9NS.C5H8N2S.8CH4/c1-13(2)15-5-3-14(4-6-15)7-8-16-9-11-17-12-10-16;1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15;1-12(2)14-7-5-6-13(10-14)11-15-8-3-4-9-15;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;1-11(2)13-6-5-12(9-14-13)10-15-7-3-4-8-15;1-4-12(14)9-15-13-7-5-11(6-8-13)10(2)3;1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3;1-10(2)12-13-8-11(15-12)9-14-6-4-3-5-7-14;1-4-11(14)8-15-12-7-10(9(2)3)5-6-13-12;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-9(2)11-12-10(8-15-11)7-13-3-5-14-6-4-13;1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-5(2)7-8-6(3)4-9-7;2*1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;;;;;;;;/h3-6,13H,7-12H2,1-2H3;6-8,12H,3-5,9-11H2,1-2H3;5-8,12H,3-4,9-11H2,1-2H3;5-7,10,12H,3-4,8-9,11H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;2*5-8,10,12,14H,4,9H2,1-3H3;8,10H,3-7,9H2,1-2H3;5-7,9,11,14H,4,8H2,1-3H3;5-7,9-10,14H,4,8H2,1-3H3;8-9H,3-7H2,1-2H3;5-7H,1-4H3;4-8H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;3*4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;8*1H4
InChIKeyMMHSVBABLCSZBW-UHFFFAOYSA-N
MW4262.82 g/mol
LogP68.81
Rot. Bonds57

About cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene

cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene (PubChem CID 159607889) has the molecular formula C253H408N26O10S9 and a molecular weight of 4262.82 g/mol. Its IUPAC name is cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene.

Molecular Properties

Compound Namecumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene
PubChem CID159607889
Molecular FormulaC253H408N26O10S9
Molecular Weight4262.82 g/mol
Exact Mass4258.97
IUPAC Namecumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene
SMILESC.C.C.C.C.C.C.C.CC(C)C1=CCC=N1.CC(C)c1ccc(CCN2CCOCC2)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCCC2)cn1.CC(C)c1cccc(CN2CCCC2)c1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccs1.CC(C)c1nc(CN2CCOCC2)cs1.CC(C)c1ncc(CN2CCCCC2)s1.CC(C)c1nccs1.CC(C)c1nncs1.CCC(O)COc1cc(C(C)C)ccn1.CCC(O)COc1ccc(C(C)C)cc1.CCC(O)COc1cccc(C(C)C)c1.CCC(O)COc1cccc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cnc(C(C)C)s1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.Cc1nnc(C(C)C)s1
InChIInChI=1S/C15H23NO.C14H22N2.2C14H21N.2C13H20N2.2C13H20O2.C12H20N2S.2C12H19NO2.C11H18N2OS.C10H15N.C10H14.C9H12.C8H11N.3C7H11NS.C7H11N.C7H10S.C6H10N2S.C6H9NS.C5H8N2S.8CH4/c1-13(2)15-5-3-14(4-6-15)7-8-16-9-11-17-12-10-16;1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15;1-12(2)14-7-5-6-13(10-14)11-15-8-3-4-9-15;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;1-11(2)13-6-5-12(9-14-13)10-15-7-3-4-8-15;1-4-12(14)9-15-13-7-5-11(6-8-13)10(2)3;1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3;1-10(2)12-13-8-11(15-12)9-14-6-4-3-5-7-14;1-4-11(14)8-15-12-7-10(9(2)3)5-6-13-12;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-9(2)11-12-10(8-15-11)7-13-3-5-14-6-4-13;1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-5(2)7-8-6(3)4-9-7;2*1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;;;;;;;;/h3-6,13H,7-12H2,1-2H3;6-8,12H,3-5,9-11H2,1-2H3;5-8,12H,3-4,9-11H2,1-2H3;5-7,10,12H,3-4,8-9,11H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;2*5-8,10,12,14H,4,9H2,1-3H3;8,10H,3-7,9H2,1-2H3;5-7,9,11,14H,4,8H2,1-3H3;5-7,9-10,14H,4,8H2,1-3H3;8-9H,3-7H2,1-2H3;5-7H,1-4H3;4-8H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;3*4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;8*1H4
InChIKeyMMHSVBABLCSZBW-UHFFFAOYSA-N
XLogP68.81
TPSA393.71 Ų
H-Bond Donors4
H-Bond Acceptors45
Rotatable Bonds57
Heavy Atoms298
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004262.82
LogP ≤ 568.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1045

Analyze cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene?
The IUPAC name of cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene (CID 159607889) is cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene.
What is the SMILES notation for cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene?
The canonical SMILES for cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene is C.C.C.C.C.C.C.C.CC(C)C1=CCC=N1.CC(C)c1ccc(CCN2CCOCC2)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCCC2)cn1.CC(C)c1cccc(CN2CCCC2)c1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccs1.CC(C)c1nc(CN2CCOCC2)cs1.CC(C)c1ncc(CN2CCCCC2)s1.CC(C)c1nccs1.CC(C)c1nncs1.CCC(O)COc1cc(C(C)C)ccn1.CCC(O)COc1ccc(C(C)C)cc1.CCC(O)COc1cccc(C(C)C)c1.CCC(O)COc1cccc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cnc(C(C)C)s1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.Cc1nnc(C(C)C)s1.
What is the InChIKey of cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene?
The InChIKey is MMHSVBABLCSZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C14H22N2.2C14H21N.2C13H20N2.2C13H20O2.C12H20N2S.2C12H19NO2.C11H18N2OS.C10H15N.C10H14.C9H12.C8H11N.3C7H11NS.C7H11N.C7H10S.C6H10N2S.C6H9NS.C5H8N2S.8CH4/c1-13(2)15-5-3-14(4-6-15)7-8-16-9-11-17-12-10-16;1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15;1-12(2)14-7-5-6-13(10-14)11-15-8-3-4-9-15;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;1-11(2)13-6-5-12(9-14-13)10-15-7-3-4-8-15;1-4-12(14)9-15-13-7-5-11(6-8-13)10(2)3;1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3;1-10(2)12-13-8-11(15-12)9-14-6-4-3-5-7-14;1-4-11(14)8-15-12-7-10(9(2)3)5-6-13-12;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-9(2)11-12-10(8-15-11)7-13-3-5-14-6-4-13;1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-5(2)7-8-6(3)4-9-7;2*1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;;;;;;;;/h3-6,13H,7-12H2,1-2H3;6-8,12H,3-5,9-11H2,1-2H3;5-8,12H,3-4,9-11H2,1-2H3;5-7,10,12H,3-4,8-9,11H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;2*5-8,10,12,14H,4,9H2,1-3H3;8,10H,3-7,9H2,1-2H3;5-7,9,11,14H,4,8H2,1-3H3;5-7,9-10,14H,4,8H2,1-3H3;8-9H,3-7H2,1-2H3;5-7H,1-4H3;4-8H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;3*4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;8*1H4.
What are the key properties of cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene?
cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene has a molecular weight of 4262.82 g/mol, XLogP of 68.81, 57 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene is sourced from PubChem (CID 159607889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).