cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;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;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

C243H437N39O7S2 — CID 158710689

IUPACcumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;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;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCN1.CC(C)C1CCCN1.CC(C)C1CCCNC1.CC(C)C1CCCO1.CC(C)C1CCN1.CC(C)C1CCNC1.CC(C)C1CCNCC1.CC(C)C1CCOC1.CC(C)C1CNC1.CC(C)C1CNCCO1.CC(C)C1COC1.CC(C)C1COCCN1.CC(C)N1CCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1ncccn1.CC(C)c1nccs1
InChIInChI=1S/C9H12.C8H17N.C8H11N.C8H17N.C8H11N.C8H17N.C8H11N.C8H16.C7H10N2.C7H16N2.5C7H10N2.3C7H15NO.3C7H15N.2C7H14O.C7H14.4C6H10N2.C6H9NO.2C6H9NS.2C6H13N.C6H12O.C6H12/c1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;1-7(2)9-5-3-8-4-6-9;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-9-4-3-8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;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;2*1-5(2)6-3-4-7-8-6;2*1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-6;1-5(2)6-3-4-7-6;1-5(2)6-3-7-4-6;1-5(2)6-3-4-6/h3-8H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;7-8H,3-6H2,1-2H3;5*3-6H,1-2H3;7H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;2*6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;4*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;2*5-7H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyIIRHJEBZAMLJFH-UHFFFAOYSA-N
MW4081.57 g/mol
LogP56.97
Rot. Bonds35

About cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;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;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;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;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 158710689) has the molecular formula C243H437N39O7S2 and a molecular weight of 4081.57 g/mol. Its IUPAC name is cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;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;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Namecumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;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;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
PubChem CID158710689
Molecular FormulaC243H437N39O7S2
Molecular Weight4081.57 g/mol
Exact Mass4078.45
IUPAC Namecumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;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;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCN1.CC(C)C1CCCN1.CC(C)C1CCCNC1.CC(C)C1CCCO1.CC(C)C1CCN1.CC(C)C1CCNC1.CC(C)C1CCNCC1.CC(C)C1CCOC1.CC(C)C1CNC1.CC(C)C1CNCCO1.CC(C)C1COC1.CC(C)C1COCCN1.CC(C)N1CCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1ncccn1.CC(C)c1nccs1
InChIInChI=1S/C9H12.C8H17N.C8H11N.C8H17N.C8H11N.C8H17N.C8H11N.C8H16.C7H10N2.C7H16N2.5C7H10N2.3C7H15NO.3C7H15N.2C7H14O.C7H14.4C6H10N2.C6H9NO.2C6H9NS.2C6H13N.C6H12O.C6H12/c1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;1-7(2)9-5-3-8-4-6-9;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-9-4-3-8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;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;2*1-5(2)6-3-4-7-8-6;2*1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-6;1-5(2)6-3-4-7-6;1-5(2)6-3-7-4-6;1-5(2)6-3-4-6/h3-8H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;7-8H,3-6H2,1-2H3;5*3-6H,1-2H3;7H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;2*6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;4*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;2*5-7H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyIIRHJEBZAMLJFH-UHFFFAOYSA-N
XLogP56.97
TPSA545.28 Ų
H-Bond Donors14
H-Bond Acceptors44
Rotatable Bonds35
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004081.57
LogP ≤ 556.97
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1044

Analyze cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;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;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

1-cyclobutyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperazine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1-(2-propan-2-yloxyethyl)pyrazole;4-propan-2-yl-1H-pyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole;trimethyl-[2-[(4-propan-2-ylpyrazol-1-yl)methoxy]ethyl]silane
CID 160508938
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;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-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(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;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157105515
tert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane
CID 157162034
3-methylpyridine;2-(2,3,3-trimethylbutan-2-yl)-1H-imidazole;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;2-(2,3,3-trimethylbutan-2-yl)pyrazine;3-(2,3,3-trimethylbutan-2-yl)pyridazine;4-(2,3,3-trimethylbutan-2-yl)pyridazine;2-(2,3,3-trimethylbutan-2-yl)pyridine;4-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,3,3-trimethylbutan-2-yl)pyrimidine;4-(2,3,3-trimethylbutan-2-yl)pyrimidine;2-(2,3,3-trimethylbutan-2-yl)-1,3-thiazole
CID 157170447
methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)
CID 157171930
propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole
CID 157220401
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157416201
tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;2H-pyrrole;3H-pyrrolo[3,2-b]pyridine;bis(7H-pyrrolo[3,4-d]pyrimidine);1,3-thiazole
CID 157417324
3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole
CID 157542792
cumene;propan-2-ylcyclopentane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;bis(2-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-ylthiophene
CID 157656999
benzene;2-tert-butyl-3,4-dihydro-2H-pyran;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;bis(1-tert-butylpyrrole);bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);methane;2-methylpropane;pyrazine;pyridazine;pyridine;pyrimidine;2H-triazole
CID 157671188

Frequently Asked Questions

What is the IUPAC name of cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;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;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The IUPAC name of cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;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;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (CID 158710689) is cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;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;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;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;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;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;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCN1.CC(C)C1CCCN1.CC(C)C1CCCNC1.CC(C)C1CCCO1.CC(C)C1CCN1.CC(C)C1CCNC1.CC(C)C1CCNCC1.CC(C)C1CCOC1.CC(C)C1CNC1.CC(C)C1CNCCO1.CC(C)C1COC1.CC(C)C1COCCN1.CC(C)N1CCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1ncccn1.CC(C)c1nccs1.
What is the InChIKey of cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;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;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The InChIKey is IIRHJEBZAMLJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H17N.C8H11N.C8H17N.C8H11N.C8H17N.C8H11N.C8H16.C7H10N2.C7H16N2.5C7H10N2.3C7H15NO.3C7H15N.2C7H14O.C7H14.4C6H10N2.C6H9NO.2C6H9NS.2C6H13N.C6H12O.C6H12/c1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;1-7(2)9-5-3-8-4-6-9;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-9-4-3-8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;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;2*1-5(2)6-3-4-7-8-6;2*1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-6;1-5(2)6-3-4-7-6;1-5(2)6-3-7-4-6;1-5(2)6-3-4-6/h3-8H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;7-8H,3-6H2,1-2H3;5*3-6H,1-2H3;7H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;2*6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;4*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;2*5-7H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;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;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;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;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 4081.57 g/mol, XLogP of 56.97, 35 rotatable bonds, 14 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;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;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158710689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).