cumene;2-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcycloheptane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C251H425N29O7S6 — CID 157365910

IUPACcumene;2-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcycloheptane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)C1CCCCN1.CC(C)C1CCCN1.CC(C)C1CCCO1.CC(C)C1CCN1.CC(C)C1CCOCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc[nH]1.CC(C)c1cccc2cc[nH]c12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncno1.CC(C)c1ncon1.CC(C)c1nncs1
InChIInChI=1S/2C11H13N.C10H12N2.C10H20.2C9H18.C9H12.2C8H11N.2C8H17N.C8H11N.C8H16O.C8H16.C7H16N2.C7H15NO.C7H15N.C7H11N.C7H14O.C7H10O.2C7H10S.C7H14.2C6H10N2.C6H9NO.3C6H9NS.C6H13N.C6H12.2C5H8N2O.C5H8N2S/c1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-9(2)10-7-5-3-4-6-8-10;3*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;4*1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-7-6;1-5(2)6-3-4-6;1-4(2)5-6-3-8-7-5;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5/h2*3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12);9-10H,3-8H2,1-2H3;2*8-9H,3-7H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3-6,8H,1-2H3;6-7H,3-5H2,1-2H3;3*3-6H,1-2H3;6-7H,3-5H2,1-2H3;2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;5-7H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;3*3-4H,1-2H3
InChIKeyBJEHGARNCFLSJS-UHFFFAOYSA-N
MW4153.76 g/mol
LogP73.06
Rot. Bonds34

About cumene;2-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcycloheptane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

cumene;2-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcycloheptane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 157365910) has the molecular formula C251H425N29O7S6 and a molecular weight of 4153.76 g/mol. Its IUPAC name is cumene;2-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcycloheptane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound Namecumene;2-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcycloheptane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID157365910
Molecular FormulaC251H425N29O7S6
Molecular Weight4153.76 g/mol
Exact Mass4150.21
IUPAC Namecumene;2-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcycloheptane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)C1CCCCN1.CC(C)C1CCCN1.CC(C)C1CCCO1.CC(C)C1CCN1.CC(C)C1CCOCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc[nH]1.CC(C)c1cccc2cc[nH]c12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncno1.CC(C)c1ncon1.CC(C)c1nncs1
InChIInChI=1S/2C11H13N.C10H12N2.C10H20.2C9H18.C9H12.2C8H11N.2C8H17N.C8H11N.C8H16O.C8H16.C7H16N2.C7H15NO.C7H15N.C7H11N.C7H14O.C7H10O.2C7H10S.C7H14.2C6H10N2.C6H9NO.3C6H9NS.C6H13N.C6H12.2C5H8N2O.C5H8N2S/c1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-9(2)10-7-5-3-4-6-8-10;3*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;4*1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-7-6;1-5(2)6-3-4-6;1-4(2)5-6-3-8-7-5;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5/h2*3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12);9-10H,3-8H2,1-2H3;2*8-9H,3-7H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3-6,8H,1-2H3;6-7H,3-5H2,1-2H3;3*3-6H,1-2H3;6-7H,3-5H2,1-2H3;2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;5-7H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;3*3-4H,1-2H3
InChIKeyBJEHGARNCFLSJS-UHFFFAOYSA-N
XLogP73.06
TPSA439.07 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds34
Heavy Atoms293
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004153.76
LogP ≤ 573.06
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Analyze cumene;2-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcycloheptane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene with MolForge

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Launch Full Analysis

Related Compounds

cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
4-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-[4-[4-[4-[3-[4-[5-[1-[5-[5-[4-[3-[4-[5-(1H-indol-2-yl)-3H-benzotriazol-4-yl]-1H-benzimidazol-2-yl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]oxadiazol-4-yl]tetrazol-5-yl]-1H-triazol-4-yl]pyrimidin-2-yl]-2-pyridinyl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]-5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-3-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrrolidin-2-yl]morpholine
CID 91229188
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-methyl-1H-pyrazole;2-methylpyrazolo[1,5-a]pyridine
CID 157085631
benzene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;1,2-dihydrocinnoline;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indene;indolizine;isoquinoline;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene
CID 157091306
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
2-Tert-butyl-5,6-dimethylfuro[3,2-b]pyridine;3-tert-butyl-5,6-dimethylfuro[3,2-b]pyridine;5-tert-butyl-2,3-dimethylfuro[2,3-b]pyridine;6-tert-butyl-2,3-dimethylfuro[3,2-b]pyridine;6-tert-butyl-3,4-dimethylpyridazine;5-tert-butyl-2,4-dimethylpyrimidine;2-tert-butyl-5,6-dimethylthieno[3,2-b]pyridine;3-tert-butyl-5,6-dimethylthieno[3,2-b]pyridine;5-tert-butyl-2,3-dimethylthieno[2,3-b]pyridine;6-tert-butyl-2,3-dimethylthieno[3,2-b]pyridine;4-tert-butyl-1-methyl-1,2-dihydrophthalazine;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;2-tert-butyl-3,5,6-trimethylpyrazine;3-tert-butyl-2,5,6-trimethylpyridine;3-tert-butyl-2,6,7-trimethylquinoline
CID 157127832
benzene;1-benzothiophene;1,2-benzoxazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;morpholine;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;oxolane;piperazine;piperidine;1H-pyrazole;pyridine;pyrrolidine;1,2-thiazole;1,3-thiazole;thiophene
CID 157153397
5-methyl-2H-benzotriazole;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157153973
1H-benzimidazole;1-benzothiophene;furan;1H-imidazole;1H-indole;isoquinoline;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine
CID 157165748
2H-benzotriazole;dibenzofuran;furan;1H-imidazole;indolizine;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,2,4,5-tetrazine;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
CID 157166676
1,2-benzothiazole;1,2-benzoxazole;1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1H-indazole;1-methylindazole;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;1-phenylindazole;4-phenyl-1,3-thiazole;phthalazine;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine;1,3,5-triazine
CID 157237191
bis(2,3-dimethylfuran);bis(1,2-dimethylimidazole);bis(4,5-dimethyl-1H-imidazole);bis(3,4-dimethyl-1,2-oxazole);bis(4,5-dimethyl-1,2-oxazole);bis(4,5-dimethyl-1,3-oxazole);bis(1,2-dimethylpiperazine);2,3-dimethylpyrazine;bis(4,5-dimethyl-1H-pyrazole);bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);tetrakis(2,3-dimethyl-1H-pyrrole);bis(4,5-dimethyl-1,2,3,6-tetrahydropyridine);5,6-dimethyl-1,2,3,4-tetrahydropyridine;bis(3,4-dimethyl-1,2-thiazole);bis(4,5-dimethyl-1,2-thiazole);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);methane;1,2-xylene
CID 157256917

Frequently Asked Questions

What is the IUPAC name of cumene;2-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcycloheptane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of cumene;2-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcycloheptane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 157365910) is cumene;2-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcycloheptane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for cumene;2-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcycloheptane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for cumene;2-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcycloheptane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)C1CCCCN1.CC(C)C1CCCN1.CC(C)C1CCCO1.CC(C)C1CCN1.CC(C)C1CCOCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc[nH]1.CC(C)c1cccc2cc[nH]c12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncno1.CC(C)c1ncon1.CC(C)c1nncs1.
What is the InChIKey of cumene;2-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcycloheptane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is BJEHGARNCFLSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H13N.C10H12N2.C10H20.2C9H18.C9H12.2C8H11N.2C8H17N.C8H11N.C8H16O.C8H16.C7H16N2.C7H15NO.C7H15N.C7H11N.C7H14O.C7H10O.2C7H10S.C7H14.2C6H10N2.C6H9NO.3C6H9NS.C6H13N.C6H12.2C5H8N2O.C5H8N2S/c1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-9(2)10-7-5-3-4-6-8-10;3*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;4*1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-7-6;1-5(2)6-3-4-6;1-4(2)5-6-3-8-7-5;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5/h2*3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12);9-10H,3-8H2,1-2H3;2*8-9H,3-7H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3-6,8H,1-2H3;6-7H,3-5H2,1-2H3;3*3-6H,1-2H3;6-7H,3-5H2,1-2H3;2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;5-7H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;3*3-4H,1-2H3.
What are the key properties of cumene;2-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcycloheptane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
cumene;2-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcycloheptane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 4153.76 g/mol, XLogP of 73.06, 34 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcycloheptane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 157365910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).