cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole

C223H362N38O5S — CID 161011729

IUPACcumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole
SMILESC.C.C.C.C.C.C.CC(C)c1cc(CN2CCCCC2)ccn1.CC(C)c1ccc(CN2CCCC2)cn1.CC(C)c1ccc(CN2CCCC2)nc1.CC(C)c1ccc(CN2CCCCC2)nc1.CC(C)c1ccc[nH]1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ccnc(CN2CCCCC2)c1.CC(C)c1ccnc(CN2CCOCC2)n1.CC(C)c1ccnn1C.CC(C)c1ccno1.CC(C)c1cnc[nH]1.CC(C)c1cncc(CN2CCCCC2)c1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.Cc1nnc(C(C)C)o1
InChIInChI=1S/4C14H22N2.C13H21N3.3C13H20N2.C12H19N3O.C9H12.3C8H11N.2C7H12N2.C7H11N.C6H10N2O.2C6H10N2.3C6H9NO.C6H9NS.7CH4/c1-12(2)13-6-7-15-14(10-13)11-16-8-4-3-5-9-16;1-12(2)13-6-7-14(15-10-13)11-16-8-4-3-5-9-16;1-12(2)14-10-13(6-7-15-14)11-16-8-4-3-5-9-16;1-12(2)14-8-13(9-15-10-14)11-16-6-4-3-5-7-16;1-11(2)13-9-14-8-12(15-13)10-16-6-4-3-5-7-16;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;1-11(2)12-5-6-13(14-9-12)10-15-7-3-4-8-15;1-11(2)13-6-5-12(9-14-13)10-15-7-3-4-8-15;1-10(2)11-3-4-13-12(14-11)9-15-5-7-16-8-6-15;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;;;;;;;/h3*6-7,10,12H,3-5,8-9,11H2,1-2H3;8-10,12H,3-7,11H2,1-2H3;8-9,11H,3-7,10H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;2*5-6,9,11H,3-4,7-8,10H2,1-2H3;3-4,10H,5-9H2,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;2*4-6H,1-3H3;3-6,8H,1-2H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;7*1H4
InChIKeyTXEZYKROILBKAM-UHFFFAOYSA-N
MW3687.68 g/mol
LogP56.52
Rot. Bonds41

About cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole

cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole (PubChem CID 161011729) has the molecular formula C223H362N38O5S and a molecular weight of 3687.68 g/mol. Its IUPAC name is cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Namecumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole
PubChem CID161011729
Molecular FormulaC223H362N38O5S
Molecular Weight3687.68 g/mol
Exact Mass3684.90
IUPAC Namecumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole
SMILESC.C.C.C.C.C.C.CC(C)c1cc(CN2CCCCC2)ccn1.CC(C)c1ccc(CN2CCCC2)cn1.CC(C)c1ccc(CN2CCCC2)nc1.CC(C)c1ccc(CN2CCCCC2)nc1.CC(C)c1ccc[nH]1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ccnc(CN2CCCCC2)c1.CC(C)c1ccnc(CN2CCOCC2)n1.CC(C)c1ccnn1C.CC(C)c1ccno1.CC(C)c1cnc[nH]1.CC(C)c1cncc(CN2CCCCC2)c1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.Cc1nnc(C(C)C)o1
InChIInChI=1S/4C14H22N2.C13H21N3.3C13H20N2.C12H19N3O.C9H12.3C8H11N.2C7H12N2.C7H11N.C6H10N2O.2C6H10N2.3C6H9NO.C6H9NS.7CH4/c1-12(2)13-6-7-15-14(10-13)11-16-8-4-3-5-9-16;1-12(2)13-6-7-14(15-10-13)11-16-8-4-3-5-9-16;1-12(2)14-10-13(6-7-15-14)11-16-8-4-3-5-9-16;1-12(2)14-8-13(9-15-10-14)11-16-6-4-3-5-7-16;1-11(2)13-9-14-8-12(15-13)10-16-6-4-3-5-7-16;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;1-11(2)12-5-6-13(14-9-12)10-15-7-3-4-8-15;1-11(2)13-6-5-12(9-14-13)10-15-7-3-4-8-15;1-10(2)11-3-4-13-12(14-11)9-15-5-7-16-8-6-15;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;;;;;;;/h3*6-7,10,12H,3-5,8-9,11H2,1-2H3;8-10,12H,3-7,11H2,1-2H3;8-9,11H,3-7,10H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;2*5-6,9,11H,3-4,7-8,10H2,1-2H3;3-4,10H,5-9H2,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;2*4-6H,1-3H3;3-6,8H,1-2H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;7*1H4
InChIKeyTXEZYKROILBKAM-UHFFFAOYSA-N
XLogP56.52
TPSA457.54 Ų
H-Bond Donors3
H-Bond Acceptors41
Rotatable Bonds41
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003687.68
LogP ≤ 556.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1041

Analyze cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole?
The IUPAC name of cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole (CID 161011729) is cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole is C.C.C.C.C.C.C.CC(C)c1cc(CN2CCCCC2)ccn1.CC(C)c1ccc(CN2CCCC2)cn1.CC(C)c1ccc(CN2CCCC2)nc1.CC(C)c1ccc(CN2CCCCC2)nc1.CC(C)c1ccc[nH]1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ccnc(CN2CCCCC2)c1.CC(C)c1ccnc(CN2CCOCC2)n1.CC(C)c1ccnn1C.CC(C)c1ccno1.CC(C)c1cnc[nH]1.CC(C)c1cncc(CN2CCCCC2)c1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.Cc1nnc(C(C)C)o1.
What is the InChIKey of cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole?
The InChIKey is TXEZYKROILBKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H22N2.C13H21N3.3C13H20N2.C12H19N3O.C9H12.3C8H11N.2C7H12N2.C7H11N.C6H10N2O.2C6H10N2.3C6H9NO.C6H9NS.7CH4/c1-12(2)13-6-7-15-14(10-13)11-16-8-4-3-5-9-16;1-12(2)13-6-7-14(15-10-13)11-16-8-4-3-5-9-16;1-12(2)14-10-13(6-7-15-14)11-16-8-4-3-5-9-16;1-12(2)14-8-13(9-15-10-14)11-16-6-4-3-5-7-16;1-11(2)13-9-14-8-12(15-13)10-16-6-4-3-5-7-16;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;1-11(2)12-5-6-13(14-9-12)10-15-7-3-4-8-15;1-11(2)13-6-5-12(9-14-13)10-15-7-3-4-8-15;1-10(2)11-3-4-13-12(14-11)9-15-5-7-16-8-6-15;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;;;;;;;/h3*6-7,10,12H,3-5,8-9,11H2,1-2H3;8-10,12H,3-7,11H2,1-2H3;8-9,11H,3-7,10H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;2*5-6,9,11H,3-4,7-8,10H2,1-2H3;3-4,10H,5-9H2,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;2*4-6H,1-3H3;3-6,8H,1-2H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;7*1H4.
What are the key properties of cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole?
cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole has a molecular weight of 3687.68 g/mol, XLogP of 56.52, 41 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 161011729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).