cumene;2-methylidene-5-propan-2-yl-1,3-diazinane;2-methylidene-5-propan-2-yl-1,3-oxazinane;2-methylidene-5-propan-2-ylpiperidine;1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-7H-cyclopenta[b]pyridine;propan-2-ylcyclopropane;7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yl-2H-imidazo[2,1-b][1,3]thiazol-4-ium;4-propan-2-yl-4H-imidazole;3-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine

C235H345N32O7S2+ — CID 161066067

IUPACcumene;2-methylidene-5-propan-2-yl-1,3-diazinane;2-methylidene-5-propan-2-yl-1,3-oxazinane;2-methylidene-5-propan-2-ylpiperidine;1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-7H-cyclopenta[b]pyridine;propan-2-ylcyclopropane;7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yl-2H-imidazo[2,1-b][1,3]thiazol-4-ium;4-propan-2-yl-4H-imidazole;3-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
SMILESC=C1CCC(C(C)C)CN1.C=C1NCC(C(C)C)CN1.C=C1NCC(C(C)C)CO1.CC(C)C1=CCC=N1.CC(C)C1=C[N+]2=CCSC2=N1.CC(C)C1C=NC=N1.CC(C)C1CC1.CC(C)C1CCCOC1.CC(C)C1CCOCC1.CC(C)C1CCc2cccnc21.CC(C)C1COCCN1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccno1.CC(C)c1ccoc1.CC(C)c1cn2ccccc2n1.CC(C)c1cnc2c(c1)C=CC2.CC(C)c1cnc2cc[nH]c2c1.CC(C)c1cnccn1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2s1.CC(C)c1ncccn1.CC(C)n1cnc2ccccc21
InChIInChI=1S/C11H15N.C11H13N.6C10H12N2.C10H11NS.C9H17N.2C9H12.C8H11N2S.C8H16N2.C8H15NO.2C8H11N.2C8H16O.2C7H10N2.C7H15NO.C7H11N.2C7H10O.C6H10N2.C6H9NO.C6H12/c1-8(2)10-6-5-9-4-3-7-12-11(9)10;1-8(2)10-6-9-4-3-5-11(9)12-7-10;1-7(2)8-5-10-9(12-6-8)3-4-11-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)12-7-11-9-5-3-4-6-10(9)12;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)9-5-4-8(3)10-6-9;2*1-8(2)9-6-4-3-5-7-9;1-6(2)7-5-10-3-4-11-8(10)9-7;2*1-6(2)8-4-9-7(3)10-5-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-5-9-4-3-8-7;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;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-6/h3-4,7-8,10H,5-6H2,1-2H3;3-4,6-8H,5H2,1-2H3;3-7,11H,1-2H3;3-7H,1-2H3,(H,11,12);3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;7,9-10H,3-6H2,1-2H3;2*3-8H,1-2H3;3,5-6H,4H2,1-2H3;6,8-10H,3-5H2,1-2H3;6,8-9H,3-5H2,1-2H3;2*3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;6-8H,3-5H2,1-2H3;4-6H,3H2,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3;5-6H,3-4H2,1-2H3/q;;;;;;;;;;;;+1;;;;;;;;;;;;;;;
InChIKeyOJILEZKWYLRIGC-UHFFFAOYSA-N
MW3794.70 g/mol
LogP60.44
Rot. Bonds28

About cumene;2-methylidene-5-propan-2-yl-1,3-diazinane;2-methylidene-5-propan-2-yl-1,3-oxazinane;2-methylidene-5-propan-2-ylpiperidine;1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-7H-cyclopenta[b]pyridine;propan-2-ylcyclopropane;7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yl-2H-imidazo[2,1-b][1,3]thiazol-4-ium;4-propan-2-yl-4H-imidazole;3-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine

cumene;2-methylidene-5-propan-2-yl-1,3-diazinane;2-methylidene-5-propan-2-yl-1,3-oxazinane;2-methylidene-5-propan-2-ylpiperidine;1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-7H-cyclopenta[b]pyridine;propan-2-ylcyclopropane;7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yl-2H-imidazo[2,1-b][1,3]thiazol-4-ium;4-propan-2-yl-4H-imidazole;3-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 161066067) has the molecular formula C235H345N32O7S2+ and a molecular weight of 3794.70 g/mol. Its IUPAC name is cumene;2-methylidene-5-propan-2-yl-1,3-diazinane;2-methylidene-5-propan-2-yl-1,3-oxazinane;2-methylidene-5-propan-2-ylpiperidine;1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-7H-cyclopenta[b]pyridine;propan-2-ylcyclopropane;7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yl-2H-imidazo[2,1-b][1,3]thiazol-4-ium;4-propan-2-yl-4H-imidazole;3-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Namecumene;2-methylidene-5-propan-2-yl-1,3-diazinane;2-methylidene-5-propan-2-yl-1,3-oxazinane;2-methylidene-5-propan-2-ylpiperidine;1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-7H-cyclopenta[b]pyridine;propan-2-ylcyclopropane;7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yl-2H-imidazo[2,1-b][1,3]thiazol-4-ium;4-propan-2-yl-4H-imidazole;3-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
PubChem CID161066067
Molecular FormulaC235H345N32O7S2+
Molecular Weight3794.70 g/mol
Exact Mass3791.71
IUPAC Namecumene;2-methylidene-5-propan-2-yl-1,3-diazinane;2-methylidene-5-propan-2-yl-1,3-oxazinane;2-methylidene-5-propan-2-ylpiperidine;1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-7H-cyclopenta[b]pyridine;propan-2-ylcyclopropane;7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yl-2H-imidazo[2,1-b][1,3]thiazol-4-ium;4-propan-2-yl-4H-imidazole;3-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
SMILESC=C1CCC(C(C)C)CN1.C=C1NCC(C(C)C)CN1.C=C1NCC(C(C)C)CO1.CC(C)C1=CCC=N1.CC(C)C1=C[N+]2=CCSC2=N1.CC(C)C1C=NC=N1.CC(C)C1CC1.CC(C)C1CCCOC1.CC(C)C1CCOCC1.CC(C)C1CCc2cccnc21.CC(C)C1COCCN1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccno1.CC(C)c1ccoc1.CC(C)c1cn2ccccc2n1.CC(C)c1cnc2c(c1)C=CC2.CC(C)c1cnc2cc[nH]c2c1.CC(C)c1cnccn1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2s1.CC(C)c1ncccn1.CC(C)n1cnc2ccccc21
InChIInChI=1S/C11H15N.C11H13N.6C10H12N2.C10H11NS.C9H17N.2C9H12.C8H11N2S.C8H16N2.C8H15NO.2C8H11N.2C8H16O.2C7H10N2.C7H15NO.C7H11N.2C7H10O.C6H10N2.C6H9NO.C6H12/c1-8(2)10-6-5-9-4-3-7-12-11(9)10;1-8(2)10-6-9-4-3-5-11(9)12-7-10;1-7(2)8-5-10-9(12-6-8)3-4-11-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)12-7-11-9-5-3-4-6-10(9)12;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)9-5-4-8(3)10-6-9;2*1-8(2)9-6-4-3-5-7-9;1-6(2)7-5-10-3-4-11-8(10)9-7;2*1-6(2)8-4-9-7(3)10-5-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-5-9-4-3-8-7;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;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-6/h3-4,7-8,10H,5-6H2,1-2H3;3-4,6-8H,5H2,1-2H3;3-7,11H,1-2H3;3-7H,1-2H3,(H,11,12);3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;7,9-10H,3-6H2,1-2H3;2*3-8H,1-2H3;3,5-6H,4H2,1-2H3;6,8-10H,3-5H2,1-2H3;6,8-9H,3-5H2,1-2H3;2*3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;6-8H,3-5H2,1-2H3;4-6H,3H2,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3;5-6H,3-4H2,1-2H3/q;;;;;;;;;;;;+1;;;;;;;;;;;;;;;
InChIKeyOJILEZKWYLRIGC-UHFFFAOYSA-N
XLogP60.44
TPSA456.30 Ų
H-Bond Donors8
H-Bond Acceptors37
Rotatable Bonds28
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003794.70
LogP ≤ 560.44
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze cumene;2-methylidene-5-propan-2-yl-1,3-diazinane;2-methylidene-5-propan-2-yl-1,3-oxazinane;2-methylidene-5-propan-2-ylpiperidine;1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-7H-cyclopenta[b]pyridine;propan-2-ylcyclopropane;7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yl-2H-imidazo[2,1-b][1,3]thiazol-4-ium;4-propan-2-yl-4H-imidazole;3-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;5-fluoro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;methane;4-methylfuro[3,2-c]pyridine;4-methyl-1H-indole;1-methylisoquinoline;4-(1-methylisoquinolin-3-yl)morpholine;7-methyl-[1,2]oxazolo[5,4-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylquinazoline;4-(4-methylquinazolin-2-yl)morpholine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 161865812
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-methyl-1H-pyrazole;2-methylpyrazolo[1,5-a]pyridine
CID 157085631
ethane;methylcyclohexane;2-methylfuran;5-methyl-1H-imidazole;4-methylmorpholine;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene
CID 157171659
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;tert-butylcyclopentane;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine
CID 157320372
2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
CID 157336614
cumene;2-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcycloheptane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157365910
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-1H-imidazo[4,5-b]pyridine);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine
CID 157379360
4,5-diphenyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-2-propan-2-ylimidazole;4-phenyl-2-propan-2-yl-1H-benzimidazole;6-phenyl-2-propan-2-yl-1H-benzimidazole;7-phenyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-phenyl-2-propan-2-yl-1H-imidazo[4,5-c]pyridine;7-phenyl-2-propan-2-yl-3H-imidazo[4,5-c]pyridine;5-phenyl-2-propan-2-yl-1H-imidazole;6-phenyl-8-propan-2-yl-7H-purine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;toluene
CID 157412447
2,5-dimethyl-4-propan-2-yl-1,3-oxazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;tris(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylquinazoline;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene
CID 157492790
cumene;6-propan-2-yl-1,3-benzothiazole;propan-2-ylcyclobutane;4-propan-2-ylcyclohexa-2,4-dien-1-one;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-3H-indole;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-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene
CID 157592384
1,3-dihydropyrrolo[1,2-c][1,3]oxazole;3H-imidazo[1,5-a]indole;4H-imidazo[1,2-a]indole;5H-imidazo[2,1-a]isoindole;imidazo[1,2-a]pyridine;imidazo[1,2-a]quinoline;imidazo[2,1-b][1,3]thiazole;imidazo[5,1-b][1,3]thiazole;indolizine;3H-pyrrolizine;1H-pyrrolo[1,2-a]benzimidazole;1H-pyrrolo[1,2-a]imidazole;pyrrolo[2,1-a]isoquinoline;pyrrolo[1,2-a]quinoline;pyrrolo[1,2-b]isoquinoline;pyrrolo[1,2-b][1,2]oxazole;pyrrolo[2,1-b][1,3]thiazole;1H-pyrrolo[1,2-c]imidazole
CID 157706970
1-benzofuran;1-benzothiophene;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-2,1-benzoxazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one;2-tert-butyl-1-methylimidazo[4,5-b]pyridine;2-tert-butyl-1-methylimidazo[4,5-c]pyridine;8-tert-butyl-9-methylpurine;pentakis(2,2-dimethylpropane);ethane;1-methyl-2,3-dihydroimidazo[1,2-b]pyrazole;4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;1-methylimidazo[1,2-b]pyrazole;1-methylindole;pyrazolo[1,5-a]pyrimidine
CID 157884467

Frequently Asked Questions

What is the IUPAC name of cumene;2-methylidene-5-propan-2-yl-1,3-diazinane;2-methylidene-5-propan-2-yl-1,3-oxazinane;2-methylidene-5-propan-2-ylpiperidine;1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-7H-cyclopenta[b]pyridine;propan-2-ylcyclopropane;7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yl-2H-imidazo[2,1-b][1,3]thiazol-4-ium;4-propan-2-yl-4H-imidazole;3-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of cumene;2-methylidene-5-propan-2-yl-1,3-diazinane;2-methylidene-5-propan-2-yl-1,3-oxazinane;2-methylidene-5-propan-2-ylpiperidine;1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-7H-cyclopenta[b]pyridine;propan-2-ylcyclopropane;7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yl-2H-imidazo[2,1-b][1,3]thiazol-4-ium;4-propan-2-yl-4H-imidazole;3-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine (CID 161066067) is cumene;2-methylidene-5-propan-2-yl-1,3-diazinane;2-methylidene-5-propan-2-yl-1,3-oxazinane;2-methylidene-5-propan-2-ylpiperidine;1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-7H-cyclopenta[b]pyridine;propan-2-ylcyclopropane;7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yl-2H-imidazo[2,1-b][1,3]thiazol-4-ium;4-propan-2-yl-4H-imidazole;3-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for cumene;2-methylidene-5-propan-2-yl-1,3-diazinane;2-methylidene-5-propan-2-yl-1,3-oxazinane;2-methylidene-5-propan-2-ylpiperidine;1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-7H-cyclopenta[b]pyridine;propan-2-ylcyclopropane;7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yl-2H-imidazo[2,1-b][1,3]thiazol-4-ium;4-propan-2-yl-4H-imidazole;3-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for cumene;2-methylidene-5-propan-2-yl-1,3-diazinane;2-methylidene-5-propan-2-yl-1,3-oxazinane;2-methylidene-5-propan-2-ylpiperidine;1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-7H-cyclopenta[b]pyridine;propan-2-ylcyclopropane;7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yl-2H-imidazo[2,1-b][1,3]thiazol-4-ium;4-propan-2-yl-4H-imidazole;3-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine is C=C1CCC(C(C)C)CN1.C=C1NCC(C(C)C)CN1.C=C1NCC(C(C)C)CO1.CC(C)C1=CCC=N1.CC(C)C1=C[N+]2=CCSC2=N1.CC(C)C1C=NC=N1.CC(C)C1CC1.CC(C)C1CCCOC1.CC(C)C1CCOCC1.CC(C)C1CCc2cccnc21.CC(C)C1COCCN1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccno1.CC(C)c1ccoc1.CC(C)c1cn2ccccc2n1.CC(C)c1cnc2c(c1)C=CC2.CC(C)c1cnc2cc[nH]c2c1.CC(C)c1cnccn1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2s1.CC(C)c1ncccn1.CC(C)n1cnc2ccccc21.
What is the InChIKey of cumene;2-methylidene-5-propan-2-yl-1,3-diazinane;2-methylidene-5-propan-2-yl-1,3-oxazinane;2-methylidene-5-propan-2-ylpiperidine;1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-7H-cyclopenta[b]pyridine;propan-2-ylcyclopropane;7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yl-2H-imidazo[2,1-b][1,3]thiazol-4-ium;4-propan-2-yl-4H-imidazole;3-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is OJILEZKWYLRIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C11H13N.6C10H12N2.C10H11NS.C9H17N.2C9H12.C8H11N2S.C8H16N2.C8H15NO.2C8H11N.2C8H16O.2C7H10N2.C7H15NO.C7H11N.2C7H10O.C6H10N2.C6H9NO.C6H12/c1-8(2)10-6-5-9-4-3-7-12-11(9)10;1-8(2)10-6-9-4-3-5-11(9)12-7-10;1-7(2)8-5-10-9(12-6-8)3-4-11-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)12-7-11-9-5-3-4-6-10(9)12;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)9-5-4-8(3)10-6-9;2*1-8(2)9-6-4-3-5-7-9;1-6(2)7-5-10-3-4-11-8(10)9-7;2*1-6(2)8-4-9-7(3)10-5-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-5-9-4-3-8-7;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;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-6/h3-4,7-8,10H,5-6H2,1-2H3;3-4,6-8H,5H2,1-2H3;3-7,11H,1-2H3;3-7H,1-2H3,(H,11,12);3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;7,9-10H,3-6H2,1-2H3;2*3-8H,1-2H3;3,5-6H,4H2,1-2H3;6,8-10H,3-5H2,1-2H3;6,8-9H,3-5H2,1-2H3;2*3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;6-8H,3-5H2,1-2H3;4-6H,3H2,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3;5-6H,3-4H2,1-2H3/q;;;;;;;;;;;;+1;;;;;;;;;;;;;;;.
What are the key properties of cumene;2-methylidene-5-propan-2-yl-1,3-diazinane;2-methylidene-5-propan-2-yl-1,3-oxazinane;2-methylidene-5-propan-2-ylpiperidine;1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-7H-cyclopenta[b]pyridine;propan-2-ylcyclopropane;7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yl-2H-imidazo[2,1-b][1,3]thiazol-4-ium;4-propan-2-yl-4H-imidazole;3-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
cumene;2-methylidene-5-propan-2-yl-1,3-diazinane;2-methylidene-5-propan-2-yl-1,3-oxazinane;2-methylidene-5-propan-2-ylpiperidine;1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-7H-cyclopenta[b]pyridine;propan-2-ylcyclopropane;7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yl-2H-imidazo[2,1-b][1,3]thiazol-4-ium;4-propan-2-yl-4H-imidazole;3-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 3794.70 g/mol, XLogP of 60.44, 28 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-methylidene-5-propan-2-yl-1,3-diazinane;2-methylidene-5-propan-2-yl-1,3-oxazinane;2-methylidene-5-propan-2-ylpiperidine;1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-7H-cyclopenta[b]pyridine;propan-2-ylcyclopropane;7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yl-2H-imidazo[2,1-b][1,3]thiazol-4-ium;4-propan-2-yl-4H-imidazole;3-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 161066067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).