cumene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopropane;2-methylpropylcyclopropane;1-phenyl-4-propan-2-ylbenzene;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);1-propan-2-ylazepane;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;1-(4-propan-2-ylphenyl)azepane;1-(4-propan-2-ylphenyl)azetidine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine;1-(4-propan-2-ylphenyl)pyrazole;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-ylpiperidine;5-propan-2-yl-2-pyrazol-1-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene

C344H492F7N25O5S — CID 167645448

IUPACcumene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopropane;2-methylpropylcyclopropane;1-phenyl-4-propan-2-ylbenzene;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);1-propan-2-ylazepane;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;1-(4-propan-2-ylphenyl)azepane;1-(4-propan-2-ylphenyl)azetidine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine;1-(4-propan-2-ylphenyl)pyrazole;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-ylpiperidine;5-propan-2-yl-2-pyrazol-1-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene
SMILESCC(C)C1(C)CC1.CC(C)C1CC1.CC(C)CC1CC1.CC(C)N1CCCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCOCC1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccncc2)cc1.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc(-n2cccn2)nc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(C2CCCCC2)cc1.CC(C)c1ccc(N2CCC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCCCCC2)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1cccs1.CC(C)c1cnc2ccccc2c1.Cc1ccc(C(C)C)cc1.Cc1ccccc1C(C)C
InChIInChI=1S/C15H23N.C15H22.C15H16.C14H15N.C14H21N.C13H14N2.2C13H20N2.C13H19NO.C13H14.C12H18N2O.C12H14N2.C12H17N.2C12H13N.C12H16.C11H13N3.2C10H11F3O.2C10H14.C9H11F.C9H19N.C9H12.C8H17N.C7H15NO.2C7H15N.C7H10S.2C7H14.C6H12/c1-13(2)14-7-9-15(10-8-14)16-11-5-3-4-6-12-16;2*1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;2*1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-10(2)11-4-6-12(7-5-11)13-8-3-9-13;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-9(2)10-4-5-11(12-8-10)14-7-3-6-13-14;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-5-3-4-6-9(8)10;1-9(2)10-7-5-3-4-6-8-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)7(3)4-5-7;1-6(2)5-7-3-4-7;1-5(2)6-3-4-6/h7-10,13H,3-6,11-12H2,1-2H3;8-12,14H,3-7H2,1-2H3;3-12H,1-2H3;3-11H,1-2H3;6-9,12H,3-5,10-11H2,1-2H3;3-10H,1-2H3;2*6-7,10-11H,3-5,8-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-10H,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-10H,1-2H3;4-7,10H,3,8-9H2,1-2H3;2*3-9H,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-9H,1-2H3;2*3-7H,1-2H3;2*4-8H,1-3H3;3-7H,1-2H3;9H,3-8H2,1-2H3;3-8H,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;3-6H,1-2H3;6H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyPUNULDYHLXGTQG-UHFFFAOYSA-N
MW5222.94 g/mol
LogP95.40
Rot. Bonds49

About cumene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopropane;2-methylpropylcyclopropane;1-phenyl-4-propan-2-ylbenzene;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);1-propan-2-ylazepane;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;1-(4-propan-2-ylphenyl)azepane;1-(4-propan-2-ylphenyl)azetidine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine;1-(4-propan-2-ylphenyl)pyrazole;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-ylpiperidine;5-propan-2-yl-2-pyrazol-1-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene

cumene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopropane;2-methylpropylcyclopropane;1-phenyl-4-propan-2-ylbenzene;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);1-propan-2-ylazepane;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;1-(4-propan-2-ylphenyl)azepane;1-(4-propan-2-ylphenyl)azetidine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine;1-(4-propan-2-ylphenyl)pyrazole;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-ylpiperidine;5-propan-2-yl-2-pyrazol-1-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene (PubChem CID 167645448) has the molecular formula C344H492F7N25O5S and a molecular weight of 5222.94 g/mol. Its IUPAC name is cumene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopropane;2-methylpropylcyclopropane;1-phenyl-4-propan-2-ylbenzene;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);1-propan-2-ylazepane;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;1-(4-propan-2-ylphenyl)azepane;1-(4-propan-2-ylphenyl)azetidine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine;1-(4-propan-2-ylphenyl)pyrazole;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-ylpiperidine;5-propan-2-yl-2-pyrazol-1-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Namecumene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopropane;2-methylpropylcyclopropane;1-phenyl-4-propan-2-ylbenzene;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);1-propan-2-ylazepane;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;1-(4-propan-2-ylphenyl)azepane;1-(4-propan-2-ylphenyl)azetidine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine;1-(4-propan-2-ylphenyl)pyrazole;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-ylpiperidine;5-propan-2-yl-2-pyrazol-1-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene
PubChem CID167645448
Molecular FormulaC344H492F7N25O5S
Molecular Weight5222.94 g/mol
Exact Mass5218.86
IUPAC Namecumene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopropane;2-methylpropylcyclopropane;1-phenyl-4-propan-2-ylbenzene;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);1-propan-2-ylazepane;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;1-(4-propan-2-ylphenyl)azepane;1-(4-propan-2-ylphenyl)azetidine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine;1-(4-propan-2-ylphenyl)pyrazole;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-ylpiperidine;5-propan-2-yl-2-pyrazol-1-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene
SMILESCC(C)C1(C)CC1.CC(C)C1CC1.CC(C)CC1CC1.CC(C)N1CCCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCOCC1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccncc2)cc1.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc(-n2cccn2)nc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(C2CCCCC2)cc1.CC(C)c1ccc(N2CCC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCCCCC2)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1cccs1.CC(C)c1cnc2ccccc2c1.Cc1ccc(C(C)C)cc1.Cc1ccccc1C(C)C
InChIInChI=1S/C15H23N.C15H22.C15H16.C14H15N.C14H21N.C13H14N2.2C13H20N2.C13H19NO.C13H14.C12H18N2O.C12H14N2.C12H17N.2C12H13N.C12H16.C11H13N3.2C10H11F3O.2C10H14.C9H11F.C9H19N.C9H12.C8H17N.C7H15NO.2C7H15N.C7H10S.2C7H14.C6H12/c1-13(2)14-7-9-15(10-8-14)16-11-5-3-4-6-12-16;2*1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;2*1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-10(2)11-4-6-12(7-5-11)13-8-3-9-13;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-9(2)10-4-5-11(12-8-10)14-7-3-6-13-14;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-5-3-4-6-9(8)10;1-9(2)10-7-5-3-4-6-8-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)7(3)4-5-7;1-6(2)5-7-3-4-7;1-5(2)6-3-4-6/h7-10,13H,3-6,11-12H2,1-2H3;8-12,14H,3-7H2,1-2H3;3-12H,1-2H3;3-11H,1-2H3;6-9,12H,3-5,10-11H2,1-2H3;3-10H,1-2H3;2*6-7,10-11H,3-5,8-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-10H,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-10H,1-2H3;4-7,10H,3,8-9H2,1-2H3;2*3-9H,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-9H,1-2H3;2*3-7H,1-2H3;2*4-8H,1-3H3;3-7H,1-2H3;9H,3-8H2,1-2H3;3-8H,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;3-6H,1-2H3;6H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyPUNULDYHLXGTQG-UHFFFAOYSA-N
XLogP95.40
TPSA236.68 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds49
Heavy Atoms382
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005222.94
LogP ≤ 595.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze cumene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopropane;2-methylpropylcyclopropane;1-phenyl-4-propan-2-ylbenzene;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);1-propan-2-ylazepane;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;1-(4-propan-2-ylphenyl)azepane;1-(4-propan-2-ylphenyl)azetidine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine;1-(4-propan-2-ylphenyl)pyrazole;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-ylpiperidine;5-propan-2-yl-2-pyrazol-1-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopropane;2-methylpropylcyclopropane;1-phenyl-4-propan-2-ylbenzene;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);1-propan-2-ylazepane;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;1-(4-propan-2-ylphenyl)azepane;1-(4-propan-2-ylphenyl)azetidine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine;1-(4-propan-2-ylphenyl)pyrazole;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-ylpiperidine;5-propan-2-yl-2-pyrazol-1-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene?
The IUPAC name of cumene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopropane;2-methylpropylcyclopropane;1-phenyl-4-propan-2-ylbenzene;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);1-propan-2-ylazepane;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;1-(4-propan-2-ylphenyl)azepane;1-(4-propan-2-ylphenyl)azetidine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine;1-(4-propan-2-ylphenyl)pyrazole;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-ylpiperidine;5-propan-2-yl-2-pyrazol-1-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene (CID 167645448) is cumene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopropane;2-methylpropylcyclopropane;1-phenyl-4-propan-2-ylbenzene;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);1-propan-2-ylazepane;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;1-(4-propan-2-ylphenyl)azepane;1-(4-propan-2-ylphenyl)azetidine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine;1-(4-propan-2-ylphenyl)pyrazole;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-ylpiperidine;5-propan-2-yl-2-pyrazol-1-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for cumene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopropane;2-methylpropylcyclopropane;1-phenyl-4-propan-2-ylbenzene;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);1-propan-2-ylazepane;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;1-(4-propan-2-ylphenyl)azepane;1-(4-propan-2-ylphenyl)azetidine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine;1-(4-propan-2-ylphenyl)pyrazole;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-ylpiperidine;5-propan-2-yl-2-pyrazol-1-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene?
The canonical SMILES for cumene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopropane;2-methylpropylcyclopropane;1-phenyl-4-propan-2-ylbenzene;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);1-propan-2-ylazepane;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;1-(4-propan-2-ylphenyl)azepane;1-(4-propan-2-ylphenyl)azetidine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine;1-(4-propan-2-ylphenyl)pyrazole;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-ylpiperidine;5-propan-2-yl-2-pyrazol-1-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene is CC(C)C1(C)CC1.CC(C)C1CC1.CC(C)CC1CC1.CC(C)N1CCCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCOCC1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccncc2)cc1.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc(-n2cccn2)nc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(C2CCCCC2)cc1.CC(C)c1ccc(N2CCC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCCCCC2)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1cccs1.CC(C)c1cnc2ccccc2c1.Cc1ccc(C(C)C)cc1.Cc1ccccc1C(C)C.
What is the InChIKey of cumene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopropane;2-methylpropylcyclopropane;1-phenyl-4-propan-2-ylbenzene;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);1-propan-2-ylazepane;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;1-(4-propan-2-ylphenyl)azepane;1-(4-propan-2-ylphenyl)azetidine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine;1-(4-propan-2-ylphenyl)pyrazole;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-ylpiperidine;5-propan-2-yl-2-pyrazol-1-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene?
The InChIKey is PUNULDYHLXGTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C15H22.C15H16.C14H15N.C14H21N.C13H14N2.2C13H20N2.C13H19NO.C13H14.C12H18N2O.C12H14N2.C12H17N.2C12H13N.C12H16.C11H13N3.2C10H11F3O.2C10H14.C9H11F.C9H19N.C9H12.C8H17N.C7H15NO.2C7H15N.C7H10S.2C7H14.C6H12/c1-13(2)14-7-9-15(10-8-14)16-11-5-3-4-6-12-16;2*1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;2*1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-10(2)11-4-6-12(7-5-11)13-8-3-9-13;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-9(2)10-4-5-11(12-8-10)14-7-3-6-13-14;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-5-3-4-6-9(8)10;1-9(2)10-7-5-3-4-6-8-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)7(3)4-5-7;1-6(2)5-7-3-4-7;1-5(2)6-3-4-6/h7-10,13H,3-6,11-12H2,1-2H3;8-12,14H,3-7H2,1-2H3;3-12H,1-2H3;3-11H,1-2H3;6-9,12H,3-5,10-11H2,1-2H3;3-10H,1-2H3;2*6-7,10-11H,3-5,8-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-10H,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-10H,1-2H3;4-7,10H,3,8-9H2,1-2H3;2*3-9H,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-9H,1-2H3;2*3-7H,1-2H3;2*4-8H,1-3H3;3-7H,1-2H3;9H,3-8H2,1-2H3;3-8H,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;3-6H,1-2H3;6H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of cumene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopropane;2-methylpropylcyclopropane;1-phenyl-4-propan-2-ylbenzene;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);1-propan-2-ylazepane;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;1-(4-propan-2-ylphenyl)azepane;1-(4-propan-2-ylphenyl)azetidine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine;1-(4-propan-2-ylphenyl)pyrazole;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-ylpiperidine;5-propan-2-yl-2-pyrazol-1-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene?
cumene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopropane;2-methylpropylcyclopropane;1-phenyl-4-propan-2-ylbenzene;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);1-propan-2-ylazepane;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;1-(4-propan-2-ylphenyl)azepane;1-(4-propan-2-ylphenyl)azetidine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine;1-(4-propan-2-ylphenyl)pyrazole;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-ylpiperidine;5-propan-2-yl-2-pyrazol-1-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene has a molecular weight of 5222.94 g/mol, XLogP of 95.40, 49 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopropane;2-methylpropylcyclopropane;1-phenyl-4-propan-2-ylbenzene;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);1-propan-2-ylazepane;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;1-(4-propan-2-ylphenyl)azepane;1-(4-propan-2-ylphenyl)azetidine;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine;1-(4-propan-2-ylphenyl)pyrazole;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-ylpiperidine;5-propan-2-yl-2-pyrazol-1-ylpyridine;4-(5-propan-2-yl-2-pyridinyl)morpholine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 167645448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).