cumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole

C252H408N38O13S4 — CID 159595611

IUPACcumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCOCC1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccccc2c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccns1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncno1.CC(C)c1nnco1.CC(C)c1nncs1
InChIInChI=1S/C13H14.C10H12O2.C9H18.C9H12.2C8H11N.C8H17N.2C8H11N.C8H16O.C8H16.C7H16N2.2C7H10N2.C7H15NO.C7H15N.2C7H10O.C7H14.5C6H10N2.5C6H9NO.3C6H9NS.C6H13N.2C5H8N2O.C5H8N2S/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*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;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;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)6-7-3-4-8-6;2*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)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-6(2)7-4-3-5-7;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5/h3-10H,1-2H3;3-5,7H,6H2,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;8H,3-7H2,1-2H3;2*3-7H,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;6-7H,3-5H2,1-2H3;5*3-5H,1-2H3,(H,7,8);8*3-5H,1-2H3;6H,3-5H2,1-2H3;3*3-4H,1-2H3
InChIKeyMKUKOAMOEHAPTB-UHFFFAOYSA-N
MW4306.56 g/mol
LogP69.71
Rot. Bonds36

About cumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole

cumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 159595611) has the molecular formula C252H408N38O13S4 and a molecular weight of 4306.56 g/mol. Its IUPAC name is cumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Namecumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
PubChem CID159595611
Molecular FormulaC252H408N38O13S4
Molecular Weight4306.56 g/mol
Exact Mass4303.13
IUPAC Namecumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCOCC1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccccc2c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccns1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncno1.CC(C)c1nnco1.CC(C)c1nncs1
InChIInChI=1S/C13H14.C10H12O2.C9H18.C9H12.2C8H11N.C8H17N.2C8H11N.C8H16O.C8H16.C7H16N2.2C7H10N2.C7H15NO.C7H15N.2C7H10O.C7H14.5C6H10N2.5C6H9NO.3C6H9NS.C6H13N.2C5H8N2O.C5H8N2S/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*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;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;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)6-7-3-4-8-6;2*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)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-6(2)7-4-3-5-7;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5/h3-10H,1-2H3;3-5,7H,6H2,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;8H,3-7H2,1-2H3;2*3-7H,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;6-7H,3-5H2,1-2H3;5*3-5H,1-2H3,(H,7,8);8*3-5H,1-2H3;6H,3-5H2,1-2H3;3*3-4H,1-2H3
InChIKeyMKUKOAMOEHAPTB-UHFFFAOYSA-N
XLogP69.71
TPSA610.39 Ų
H-Bond Donors6
H-Bond Acceptors50
Rotatable Bonds36
Heavy Atoms307
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004306.56
LogP ≤ 569.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1050

Analyze cumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole
CID 157323699
cumene;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;propan-2-yloxybenzene;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 162181482
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;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 158161280
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;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-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 167622722
bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-1H-1,2,4-triazole
CID 161107502
cumene;2-cyclopropyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylimidazole;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)pyridine;1-hydroxy-3-propan-2-ylpyridin-1-ium;methane;2-methyl-5-propan-2-yl-1H-imidazole;pentakis(2-methyl-5-propan-2-ylpyridine);1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine)
CID 158218996
2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1,2-dichloro-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;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;bis(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;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 159726223
methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole
CID 158336105
2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
CID 159561928
2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;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 157431953
1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;cumene;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 160675080
ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine
CID 157313290

Frequently Asked Questions

What is the IUPAC name of cumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
The IUPAC name of cumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole (CID 159595611) is cumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for cumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for cumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole is CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCOCC1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccccc2c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccns1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncno1.CC(C)c1nnco1.CC(C)c1nncs1.
What is the InChIKey of cumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
The InChIKey is MKUKOAMOEHAPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C10H12O2.C9H18.C9H12.2C8H11N.C8H17N.2C8H11N.C8H16O.C8H16.C7H16N2.2C7H10N2.C7H15NO.C7H15N.2C7H10O.C7H14.5C6H10N2.5C6H9NO.3C6H9NS.C6H13N.2C5H8N2O.C5H8N2S/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*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;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;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)6-7-3-4-8-6;2*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)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-6(2)7-4-3-5-7;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5/h3-10H,1-2H3;3-5,7H,6H2,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;8H,3-7H2,1-2H3;2*3-7H,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;6-7H,3-5H2,1-2H3;5*3-5H,1-2H3,(H,7,8);8*3-5H,1-2H3;6H,3-5H2,1-2H3;3*3-4H,1-2H3.
What are the key properties of cumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
cumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 4306.56 g/mol, XLogP of 69.71, 36 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159595611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).