cumene;1-methyl-3-propan-2-ylindazole;1-methyl-2-propan-2-ylindole;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylcyclopenta-1,3-diene;bis(3-propan-2-ylfuran);1-propan-2-ylindazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-isoindole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline

C296H384N30O4 — CID 157110627

IUPACcumene;1-methyl-3-propan-2-ylindazole;1-methyl-2-propan-2-ylindole;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylcyclopenta-1,3-diene;bis(3-propan-2-ylfuran);1-propan-2-ylindazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-isoindole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline
SMILESCC(C)C1=CCC=C1.CC(C)C1=CCN=C1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1cc2ccccc2n1C.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2c1C=NC2.CC(C)c1cccc2ccccc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccoc1.CC(C)c1cn(C)c2cnccc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cnn2ccccc12.CC(C)c1coc2ccccc12.CC(C)c1nn(C)c2ccccc12.CC(C)n1cccc1.CC(C)n1cnc2ccccc21.CC(C)n1ncc2ccccc21.CC(C)n1nnc2ccccc21
InChIInChI=1S/2C13H14.C12H15N.6C12H13N.C12H14.2C11H14N2.C11H13N.C11H12O.3C10H12N2.C9H11N3.C9H12.C8H18N2.C8H13N.2C8H11N.C8H12.C7H15NO.C7H11N.C7H15N.C7H11N.2C7H10O/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)10-7-13(3)11-6-12-5-4-9(10)11;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-8(2)10-5-3-4-9-6-12-7-11(9)10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;2*1-7(2)8-5-3-4-6-8;2*1-6(2)7-3-4-8-5-7/h2*3-10H,1-2H3;4-9H,1-3H3;6*3-9H,1-2H3;3,5-9H,4H2,1-2H3;2*4-8H,1-3H3;3-5,7-8H,6H2,1-2H3;4*3-8H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;8H,4-7H2,1-3H3;4-7H,1-3H3;2*3-7H,1-2H3;3,5-7H,4H2,1-2H3;7H,3-6H2,1-2H3;3,5-6H,4H2,1-2H3;7H,3-6H2,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyAGURHSCXWCNGOA-UHFFFAOYSA-N
MW4426.53 g/mol
LogP79.44
Rot. Bonds30

About cumene;1-methyl-3-propan-2-ylindazole;1-methyl-2-propan-2-ylindole;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylcyclopenta-1,3-diene;bis(3-propan-2-ylfuran);1-propan-2-ylindazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-isoindole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline

cumene;1-methyl-3-propan-2-ylindazole;1-methyl-2-propan-2-ylindole;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylcyclopenta-1,3-diene;bis(3-propan-2-ylfuran);1-propan-2-ylindazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-isoindole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline (PubChem CID 157110627) has the molecular formula C296H384N30O4 and a molecular weight of 4426.53 g/mol. Its IUPAC name is cumene;1-methyl-3-propan-2-ylindazole;1-methyl-2-propan-2-ylindole;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylcyclopenta-1,3-diene;bis(3-propan-2-ylfuran);1-propan-2-ylindazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-isoindole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline.

Molecular Properties

Compound Namecumene;1-methyl-3-propan-2-ylindazole;1-methyl-2-propan-2-ylindole;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylcyclopenta-1,3-diene;bis(3-propan-2-ylfuran);1-propan-2-ylindazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-isoindole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline
PubChem CID157110627
Molecular FormulaC296H384N30O4
Molecular Weight4426.53 g/mol
Exact Mass4423.08
IUPAC Namecumene;1-methyl-3-propan-2-ylindazole;1-methyl-2-propan-2-ylindole;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylcyclopenta-1,3-diene;bis(3-propan-2-ylfuran);1-propan-2-ylindazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-isoindole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline
SMILESCC(C)C1=CCC=C1.CC(C)C1=CCN=C1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1cc2ccccc2n1C.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2c1C=NC2.CC(C)c1cccc2ccccc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccoc1.CC(C)c1cn(C)c2cnccc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cnn2ccccc12.CC(C)c1coc2ccccc12.CC(C)c1nn(C)c2ccccc12.CC(C)n1cccc1.CC(C)n1cnc2ccccc21.CC(C)n1ncc2ccccc21.CC(C)n1nnc2ccccc21
InChIInChI=1S/2C13H14.C12H15N.6C12H13N.C12H14.2C11H14N2.C11H13N.C11H12O.3C10H12N2.C9H11N3.C9H12.C8H18N2.C8H13N.2C8H11N.C8H12.C7H15NO.C7H11N.C7H15N.C7H11N.2C7H10O/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)10-7-13(3)11-6-12-5-4-9(10)11;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-8(2)10-5-3-4-9-6-12-7-11(9)10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;2*1-7(2)8-5-3-4-6-8;2*1-6(2)7-3-4-8-5-7/h2*3-10H,1-2H3;4-9H,1-3H3;6*3-9H,1-2H3;3,5-9H,4H2,1-2H3;2*4-8H,1-3H3;3-5,7-8H,6H2,1-2H3;4*3-8H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;8H,4-7H2,1-3H3;4-7H,1-3H3;2*3-7H,1-2H3;3,5-7H,4H2,1-2H3;7H,3-6H2,1-2H3;3,5-6H,4H2,1-2H3;7H,3-6H2,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyAGURHSCXWCNGOA-UHFFFAOYSA-N
XLogP79.44
TPSA323.53 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds30
Heavy Atoms330
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004426.53
LogP ≤ 579.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze cumene;1-methyl-3-propan-2-ylindazole;1-methyl-2-propan-2-ylindole;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylcyclopenta-1,3-diene;bis(3-propan-2-ylfuran);1-propan-2-ylindazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-isoindole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline with MolForge

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Related Compounds

22,22'-Dimethyl-17-[4-(trifluoromethyl)-5-aza-6,8-diazoniatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaen-5-yl]spiro[3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene-14,14'-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene]
CID 145671448
CID 157119212
CID 157119212
CID 160341449
CID 160341449
CID 160843772
CID 160843772
CID 161018936
CID 161018936
CID 161209560
CID 161209560
15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-oxa-17,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;12-phenyl-17-oxa-9-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1,3,5,7,9,11,13,15,18,20,22,24-dodecaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 161212579
1-[4,6-Bis(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;9-butan-2-ylcarbazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)furan;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 161596664
tris(2-(2H-dibenzofuran-2-id-3-yl)quinoline);tris(iridium);1-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridin-1-ium;1-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridin-1-ium;1-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-1-ium
CID 161715870
CID 161777032
CID 161777032
bis(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));bis(9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide);bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 161792284
2-[3-(4-Cyclopropylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methoxyphenyl]ethanone;2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 163465054

Frequently Asked Questions

What is the IUPAC name of cumene;1-methyl-3-propan-2-ylindazole;1-methyl-2-propan-2-ylindole;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylcyclopenta-1,3-diene;bis(3-propan-2-ylfuran);1-propan-2-ylindazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-isoindole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline?
The IUPAC name of cumene;1-methyl-3-propan-2-ylindazole;1-methyl-2-propan-2-ylindole;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylcyclopenta-1,3-diene;bis(3-propan-2-ylfuran);1-propan-2-ylindazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-isoindole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline (CID 157110627) is cumene;1-methyl-3-propan-2-ylindazole;1-methyl-2-propan-2-ylindole;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylcyclopenta-1,3-diene;bis(3-propan-2-ylfuran);1-propan-2-ylindazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-isoindole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline.
What is the SMILES notation for cumene;1-methyl-3-propan-2-ylindazole;1-methyl-2-propan-2-ylindole;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylcyclopenta-1,3-diene;bis(3-propan-2-ylfuran);1-propan-2-ylindazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-isoindole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline?
The canonical SMILES for cumene;1-methyl-3-propan-2-ylindazole;1-methyl-2-propan-2-ylindole;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylcyclopenta-1,3-diene;bis(3-propan-2-ylfuran);1-propan-2-ylindazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-isoindole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline is CC(C)C1=CCC=C1.CC(C)C1=CCN=C1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1cc2ccccc2n1C.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2c1C=NC2.CC(C)c1cccc2ccccc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccoc1.CC(C)c1cn(C)c2cnccc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cnn2ccccc12.CC(C)c1coc2ccccc12.CC(C)c1nn(C)c2ccccc12.CC(C)n1cccc1.CC(C)n1cnc2ccccc21.CC(C)n1ncc2ccccc21.CC(C)n1nnc2ccccc21.
What is the InChIKey of cumene;1-methyl-3-propan-2-ylindazole;1-methyl-2-propan-2-ylindole;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylcyclopenta-1,3-diene;bis(3-propan-2-ylfuran);1-propan-2-ylindazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-isoindole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline?
The InChIKey is AGURHSCXWCNGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H14.C12H15N.6C12H13N.C12H14.2C11H14N2.C11H13N.C11H12O.3C10H12N2.C9H11N3.C9H12.C8H18N2.C8H13N.2C8H11N.C8H12.C7H15NO.C7H11N.C7H15N.C7H11N.2C7H10O/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)10-7-13(3)11-6-12-5-4-9(10)11;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-8(2)10-5-3-4-9-6-12-7-11(9)10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;2*1-7(2)8-5-3-4-6-8;2*1-6(2)7-3-4-8-5-7/h2*3-10H,1-2H3;4-9H,1-3H3;6*3-9H,1-2H3;3,5-9H,4H2,1-2H3;2*4-8H,1-3H3;3-5,7-8H,6H2,1-2H3;4*3-8H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;8H,4-7H2,1-3H3;4-7H,1-3H3;2*3-7H,1-2H3;3,5-7H,4H2,1-2H3;7H,3-6H2,1-2H3;3,5-6H,4H2,1-2H3;7H,3-6H2,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3.
What are the key properties of cumene;1-methyl-3-propan-2-ylindazole;1-methyl-2-propan-2-ylindole;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylcyclopenta-1,3-diene;bis(3-propan-2-ylfuran);1-propan-2-ylindazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-isoindole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline?
cumene;1-methyl-3-propan-2-ylindazole;1-methyl-2-propan-2-ylindole;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylcyclopenta-1,3-diene;bis(3-propan-2-ylfuran);1-propan-2-ylindazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-isoindole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline has a molecular weight of 4426.53 g/mol, XLogP of 79.44, 30 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1-methyl-3-propan-2-ylindazole;1-methyl-2-propan-2-ylindole;1-methyl-4-propan-2-ylpiperazine;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylcyclopenta-1,3-diene;bis(3-propan-2-ylfuran);1-propan-2-ylindazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-isoindole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;4-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline is sourced from PubChem (CID 157110627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).