2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine

C179H290B4F4N38O11S3 — CID 158395729

IUPAC2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine
SMILESCB(O)c1ccc(NC(C)C)cc1.CB(O)c1cccc(NC(C)C)c1.CC(C)NC(C)(C)c1noc(CN(C)C)n1.CC(C)Nc1ccc(C(F)(F)F)nc1.CC(C)Nc1ccc(N2CCOCC2)nc1.CC(C)Nc1ccccc1.CC(C)Nc1ccccc1B(O)O.CC(C)Nc1ccccn1.CC(C)Nc1ccn(C)n1.CC(C)Nc1nc(CO)cs1.CCCn1ccc(NC(C)C)n1.COc1cc(NC(C)C)ccc1B(C)O.Cc1ccc(NC(C)C)cc1C.Cc1ccc(NC(C)C)cc1F.Cc1ccc(NC(C)C)cn1.Cc1ccc(NC(C)C)nc1.Cc1cnc(NC(C)C)s1.Cc1coc(NC(C)C)c1.Cc1csc(NC(C)C)n1.Cc1nnc(NC(C)C)o1
InChIInChI=1S/C12H19N3O.C11H18BNO2.C11H22N4O.C11H17N.2C10H16BNO.C10H14FN.C9H14BNO2.C9H11F3N2.C9H17N3.2C9H14N2.C9H13N.C8H12N2.C8H13NO.C7H13N3.C7H12N2OS.2C7H12N2S.C6H11N3O/c1-10(2)14-11-3-4-12(13-9-11)15-5-7-16-8-6-15;1-8(2)13-9-5-6-10(12(3)14)11(7-9)15-4;1-8(2)13-11(3,4)10-12-9(16-14-10)7-15(5)6;1-8(2)12-11-6-5-9(3)10(4)7-11;1-8(2)12-10-6-4-9(5-7-10)11(3)13;1-8(2)12-10-6-4-5-9(7-10)11(3)13;1-7(2)12-9-5-4-8(3)10(11)6-9;1-7(2)11-9-6-4-3-5-8(9)10(12)13;1-6(2)14-7-3-4-8(13-5-7)9(10,11)12;1-4-6-12-7-5-9(11-12)10-8(2)3;1-7(2)11-9-5-4-8(3)10-6-9;1-7(2)11-9-5-4-8(3)6-10-9;1-8(2)10-9-6-4-3-5-7-9;1-7(2)10-8-5-3-4-6-9-8;1-6(2)9-8-4-7(3)5-10-8;1-6(2)8-7-4-5-10(3)9-7;1-5(2)8-7-9-6(3-10)4-11-7;1-5(2)8-7-9-6(3)4-10-7;1-5(2)9-7-8-4-6(3)10-7;1-4(2)7-6-9-8-5(3)10-6/h3-4,9-10,14H,5-8H2,1-2H3;5-8,13-14H,1-4H3;8,13H,7H2,1-6H3;5-8,12H,1-4H3;2*4-8,12-13H,1-3H3;4-7,12H,1-3H3;3-7,11-13H,1-2H3;3-6,14H,1-2H3;5,7-8H,4,6H2,1-3H3,(H,10,11);4-7,11H,1-3H3;4-7H,1-3H3,(H,10,11);3-8,10H,1-2H3;3-7H,1-2H3,(H,9,10);4-6,9H,1-3H3;4-6H,1-3H3,(H,8,9);4-5,10H,3H2,1-2H3,(H,8,9);2*4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,9)
InChIKeyGXNDYCBOUIZYLY-UHFFFAOYSA-N
MW3365.98 g/mol
LogP38.07
Rot. Bonds52

About 2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine

2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 158395729) has the molecular formula C179H290B4F4N38O11S3 and a molecular weight of 3365.98 g/mol. Its IUPAC name is 2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine
PubChem CID158395729
Molecular FormulaC179H290B4F4N38O11S3
Molecular Weight3365.98 g/mol
Exact Mass3364.28
IUPAC Name2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine
SMILESCB(O)c1ccc(NC(C)C)cc1.CB(O)c1cccc(NC(C)C)c1.CC(C)NC(C)(C)c1noc(CN(C)C)n1.CC(C)Nc1ccc(C(F)(F)F)nc1.CC(C)Nc1ccc(N2CCOCC2)nc1.CC(C)Nc1ccccc1.CC(C)Nc1ccccc1B(O)O.CC(C)Nc1ccccn1.CC(C)Nc1ccn(C)n1.CC(C)Nc1nc(CO)cs1.CCCn1ccc(NC(C)C)n1.COc1cc(NC(C)C)ccc1B(C)O.Cc1ccc(NC(C)C)cc1C.Cc1ccc(NC(C)C)cc1F.Cc1ccc(NC(C)C)cn1.Cc1ccc(NC(C)C)nc1.Cc1cnc(NC(C)C)s1.Cc1coc(NC(C)C)c1.Cc1csc(NC(C)C)n1.Cc1nnc(NC(C)C)o1
InChIInChI=1S/C12H19N3O.C11H18BNO2.C11H22N4O.C11H17N.2C10H16BNO.C10H14FN.C9H14BNO2.C9H11F3N2.C9H17N3.2C9H14N2.C9H13N.C8H12N2.C8H13NO.C7H13N3.C7H12N2OS.2C7H12N2S.C6H11N3O/c1-10(2)14-11-3-4-12(13-9-11)15-5-7-16-8-6-15;1-8(2)13-9-5-6-10(12(3)14)11(7-9)15-4;1-8(2)13-11(3,4)10-12-9(16-14-10)7-15(5)6;1-8(2)12-11-6-5-9(3)10(4)7-11;1-8(2)12-10-6-4-9(5-7-10)11(3)13;1-8(2)12-10-6-4-5-9(7-10)11(3)13;1-7(2)12-9-5-4-8(3)10(11)6-9;1-7(2)11-9-6-4-3-5-8(9)10(12)13;1-6(2)14-7-3-4-8(13-5-7)9(10,11)12;1-4-6-12-7-5-9(11-12)10-8(2)3;1-7(2)11-9-5-4-8(3)10-6-9;1-7(2)11-9-5-4-8(3)6-10-9;1-8(2)10-9-6-4-3-5-7-9;1-7(2)10-8-5-3-4-6-9-8;1-6(2)9-8-4-7(3)5-10-8;1-6(2)8-7-4-5-10(3)9-7;1-5(2)8-7-9-6(3-10)4-11-7;1-5(2)8-7-9-6(3)4-10-7;1-5(2)9-7-8-4-6(3)10-7;1-4(2)7-6-9-8-5(3)10-6/h3-4,9-10,14H,5-8H2,1-2H3;5-8,13-14H,1-4H3;8,13H,7H2,1-6H3;5-8,12H,1-4H3;2*4-8,12-13H,1-3H3;4-7,12H,1-3H3;3-7,11-13H,1-2H3;3-6,14H,1-2H3;5,7-8H,4,6H2,1-3H3,(H,10,11);4-7,11H,1-3H3;4-7H,1-3H3,(H,10,11);3-8,10H,1-2H3;3-7H,1-2H3,(H,9,10);4-6,9H,1-3H3;4-6H,1-3H3,(H,8,9);4-5,10H,3H2,1-2H3,(H,8,9);2*4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,9)
InChIKeyGXNDYCBOUIZYLY-UHFFFAOYSA-N
XLogP38.07
TPSA616.66 Ų
H-Bond Donors26
H-Bond Acceptors52
Rotatable Bonds52
Heavy Atoms239
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003365.98
LogP ≤ 538.07
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

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

Analyze 2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[2-(propan-2-ylamino)phenyl]borinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;3-methyl-N-propan-2-yl-1,2-oxazol-5-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-piperidin-1-yl-N-propan-2-ylpyridin-3-amine;2-[3-(propan-2-ylamino)pyrazol-1-yl]ethanol;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine
CID 159450948
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine
CID 167532286
3,4-difluoro-N-propan-2-ylaniline;4-fluoro-3-methyl-N-propan-2-ylaniline;5-fluoro-N-propan-2-ylpyridin-2-amine;6-fluoro-N-propan-2-ylpyridin-3-amine;N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]boronic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;1-[(propan-2-ylamino)methyl]cyclohexan-1-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[3-(propan-2-ylamino)phenyl]boronic acid;[4-(propan-2-ylamino)phenyl]boronic acid;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-[(1-propoxycyclohexyl)methyl]propan-2-amine
CID 161190832

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine (CID 158395729) is 2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine is CB(O)c1ccc(NC(C)C)cc1.CB(O)c1cccc(NC(C)C)c1.CC(C)NC(C)(C)c1noc(CN(C)C)n1.CC(C)Nc1ccc(C(F)(F)F)nc1.CC(C)Nc1ccc(N2CCOCC2)nc1.CC(C)Nc1ccccc1.CC(C)Nc1ccccc1B(O)O.CC(C)Nc1ccccn1.CC(C)Nc1ccn(C)n1.CC(C)Nc1nc(CO)cs1.CCCn1ccc(NC(C)C)n1.COc1cc(NC(C)C)ccc1B(C)O.Cc1ccc(NC(C)C)cc1C.Cc1ccc(NC(C)C)cc1F.Cc1ccc(NC(C)C)cn1.Cc1ccc(NC(C)C)nc1.Cc1cnc(NC(C)C)s1.Cc1coc(NC(C)C)c1.Cc1csc(NC(C)C)n1.Cc1nnc(NC(C)C)o1.
What is the InChIKey of 2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is GXNDYCBOUIZYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.C11H18BNO2.C11H22N4O.C11H17N.2C10H16BNO.C10H14FN.C9H14BNO2.C9H11F3N2.C9H17N3.2C9H14N2.C9H13N.C8H12N2.C8H13NO.C7H13N3.C7H12N2OS.2C7H12N2S.C6H11N3O/c1-10(2)14-11-3-4-12(13-9-11)15-5-7-16-8-6-15;1-8(2)13-9-5-6-10(12(3)14)11(7-9)15-4;1-8(2)13-11(3,4)10-12-9(16-14-10)7-15(5)6;1-8(2)12-11-6-5-9(3)10(4)7-11;1-8(2)12-10-6-4-9(5-7-10)11(3)13;1-8(2)12-10-6-4-5-9(7-10)11(3)13;1-7(2)12-9-5-4-8(3)10(11)6-9;1-7(2)11-9-6-4-3-5-8(9)10(12)13;1-6(2)14-7-3-4-8(13-5-7)9(10,11)12;1-4-6-12-7-5-9(11-12)10-8(2)3;1-7(2)11-9-5-4-8(3)10-6-9;1-7(2)11-9-5-4-8(3)6-10-9;1-8(2)10-9-6-4-3-5-7-9;1-7(2)10-8-5-3-4-6-9-8;1-6(2)9-8-4-7(3)5-10-8;1-6(2)8-7-4-5-10(3)9-7;1-5(2)8-7-9-6(3-10)4-11-7;1-5(2)8-7-9-6(3)4-10-7;1-5(2)9-7-8-4-6(3)10-7;1-4(2)7-6-9-8-5(3)10-6/h3-4,9-10,14H,5-8H2,1-2H3;5-8,13-14H,1-4H3;8,13H,7H2,1-6H3;5-8,12H,1-4H3;2*4-8,12-13H,1-3H3;4-7,12H,1-3H3;3-7,11-13H,1-2H3;3-6,14H,1-2H3;5,7-8H,4,6H2,1-3H3,(H,10,11);4-7,11H,1-3H3;4-7H,1-3H3,(H,10,11);3-8,10H,1-2H3;3-7H,1-2H3,(H,9,10);4-6,9H,1-3H3;4-6H,1-3H3,(H,8,9);4-5,10H,3H2,1-2H3,(H,8,9);2*4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,9).
What are the key properties of 2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine?
2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 3365.98 g/mol, XLogP of 38.07, 52 rotatable bonds, 26 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 158395729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).