cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;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;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

C213H388N30O6S2 — CID 159020714

IUPACcumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;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;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)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1.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.C7H14.2C6H9NS.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)6-7-3-4-8-6;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;2*3-5H,1-2H3;2*5-7H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyJTQSHPCDPPGDEU-UHFFFAOYSA-N
MW3529.78 g/mol
LogP49.03
Rot. Bonds30

About cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;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;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;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;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;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 159020714) has the molecular formula C213H388N30O6S2 and a molecular weight of 3529.78 g/mol. Its IUPAC name is cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;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;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;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;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;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 CID159020714
Molecular FormulaC213H388N30O6S2
Molecular Weight3529.78 g/mol
Exact Mass3527.04
IUPAC Namecumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;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;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)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1.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.C7H14.2C6H9NS.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)6-7-3-4-8-6;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;2*3-5H,1-2H3;2*5-7H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyJTQSHPCDPPGDEU-UHFFFAOYSA-N
XLogP49.03
TPSA404.53 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003529.78
LogP ≤ 549.03
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Analyze cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;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;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

2-cyclopropyl-6-(2-methylpropyl)pyridine;4-cyclopropyl-2-(2-methylpropyl)triazole;3,3-difluoro-1-(2-methylpropyl)piperidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;4,5-dimethyl-1-(2-methylpropyl)triazole;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;5-(3-methylbutyl)-1,3-thiazole;2-methyl-6-(2-methylpropyl)pyridine;2-methyl-4-(2-methylpropyl)triazole;4-methyl-2-(2-methylpropyl)triazole;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)triazole;2-(2-methylpropyl)triazole
CID 157232677
N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;2-cyclopropyl-6-(2-methylpropyl)pyridine;4-cyclopropyl-2-(2-methylpropyl)triazole;3,3-difluoro-1-(2-methylpropyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4,5-dimethyl-1-(2-methylpropyl)triazole;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(2-methylpropyl)pyridine;2-methyl-4-(2-methylpropyl)triazole;4-methyl-2-(2-methylpropyl)triazole;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)triazole;2-(2-methylpropyl)triazole
CID 158126927
2-cyclopropyl-6-(2-methylpropyl)pyridine;4-cyclopropyl-2-(2-methylpropyl)triazole;3,3-difluoro-1-(2-methylpropyl)piperidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;4,5-dimethyl-1-(2-methylpropyl)triazole;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2-methyl-6-(2-methylpropyl)pyridine;2-methyl-4-(2-methylpropyl)triazole;4-methyl-2-(2-methylpropyl)triazole;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)triazole;2-(2-methylpropyl)triazole
CID 161576503
1,3-Dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole
CID 157127281
2-(azetidin-1-yl)-6-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-2-amine;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-imidazol-1-yl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-(oxan-4-yloxy)-4-propan-2-ylpyrimidine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;6-(6-propan-2-yl-2-pyridinyl)-1-oxa-6-azaspiro[3.3]heptane;4-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
CID 157137623
azetidine;benzene;ethane;methane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene
CID 157433179
3-propan-2-ylazetidine;2-propan-2-yl-2,3-dihydro-1,3-oxazole;2-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,4,5,6-tetrahydrotriazine;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-1,3-thiazole;2-propan-2-ylthiophene;5-propan-2-yl-1H-1,2,4-triazole
CID 157988440
azetidine;benzene;ethane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene
CID 158218147
1-tert-butyl-2,3-dihydroindole;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole
CID 158370943
1-tert-butyl-2,3-dihydroindole;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole
CID 158478567
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
tert-butylbenzene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-N-ethyl-1,3-thiazol-2-amine;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole;N,4-ditert-butyl-1,3-thiazol-2-amine
CID 159261635

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;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;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;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;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;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;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 159020714) is cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;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;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;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;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;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;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;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;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)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1.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;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;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;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 JTQSHPCDPPGDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H17N.C8H11N.C8H17N.C8H11N.C8H17N.C8H11N.C8H16.C7H10N2.C7H16N2.5C7H10N2.3C7H15NO.3C7H15N.2C7H14O.C7H14.2C6H9NS.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)6-7-3-4-8-6;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;2*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;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;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;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;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;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;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 3529.78 g/mol, XLogP of 49.03, 30 rotatable bonds, 10 hydrogen bond donors, and 38 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;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;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;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 159020714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).