lithium;5-bromo-1,2-dimethylindole;5-bromo-2-methyl-1H-indole;N-tert-butyl-1-(1,2-dimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-(1,2-dimethylindol-5-yl)butan-1-one;6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide

C105H135Br2LiN11O15- — CID 161447501

IUPAClithium;5-bromo-1,2-dimethylindole;5-bromo-2-methyl-1H-indole;N-tert-butyl-1-(1,2-dimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-(1,2-dimethylindol-5-yl)butan-1-one;6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide
SMILESCC(C)(C)N.CC=C(C(=O)OC)C(=O)OC.CCC/C(=N\C(C)(C)C)c1ccc2c(c1)cc(C)n2C.CCCC(=O)N(C)OC.CCCC(=O)c1ccc2c(c1)cc(C)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(C)n2C.CCc1cc(C(=O)OC)c(=O)[nH]c1-c1ccc2c(c1)cc(C)n2C.Cc1cc2cc(Br)ccc2[nH]1.Cc1cc2cc(Br)ccc2n1C.[Li+].[OH-].[OH-]
InChIInChI=1S/C19H20N2O3.C18H18N2O3.C18H26N2.C14H17NO.C10H10BrN.C9H8BrN.C7H10O4.C6H13NO2.C4H11N.Li.2H2O/c1-5-12-10-15(19(23)24-4)18(22)20-17(12)13-6-7-16-14(9-13)8-11(2)21(16)3;1-4-11-9-14(18(22)23)17(21)19-16(11)12-5-6-15-13(8-12)7-10(2)20(15)3;1-7-8-16(19-18(3,4)5)14-9-10-17-15(12-14)11-13(2)20(17)6;1-4-5-14(16)11-6-7-13-12(9-11)8-10(2)15(13)3;1-7-5-8-6-9(11)3-4-10(8)12(7)2;1-6-4-7-5-8(10)2-3-9(7)11-6;1-4-5(6(8)10-2)7(9)11-3;1-4-5-6(8)7(2)9-3;1-4(2,3)5;;;/h6-10H,5H2,1-4H3,(H,20,22);5-9H,4H2,1-3H3,(H,19,21)(H,22,23);9-12H,7-8H2,1-6H3;6-9H,4-5H2,1-3H3;3-6H,1-2H3;2-5,11H,1H3;4H,1-3H3;4-5H2,1-3H3;5H2,1-3H3;;2*1H2/q;;;;;;;;;+1;;/p-2/b;;19-16+;;;;;;;;;
InChIKeyVMQDRAMGKKGHSW-HIHKBLENSA-L
MW1958.05 g/mol
LogP19.60
Rot. Bonds17

About lithium;5-bromo-1,2-dimethylindole;5-bromo-2-methyl-1H-indole;N-tert-butyl-1-(1,2-dimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-(1,2-dimethylindol-5-yl)butan-1-one;6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide

lithium;5-bromo-1,2-dimethylindole;5-bromo-2-methyl-1H-indole;N-tert-butyl-1-(1,2-dimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-(1,2-dimethylindol-5-yl)butan-1-one;6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide (PubChem CID 161447501) has the molecular formula C105H135Br2LiN11O15- and a molecular weight of 1958.05 g/mol. Its IUPAC name is lithium;5-bromo-1,2-dimethylindole;5-bromo-2-methyl-1H-indole;N-tert-butyl-1-(1,2-dimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-(1,2-dimethylindol-5-yl)butan-1-one;6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide.

Molecular Properties

Compound Namelithium;5-bromo-1,2-dimethylindole;5-bromo-2-methyl-1H-indole;N-tert-butyl-1-(1,2-dimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-(1,2-dimethylindol-5-yl)butan-1-one;6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide
PubChem CID161447501
Molecular FormulaC105H135Br2LiN11O15-
Molecular Weight1958.05 g/mol
Exact Mass1954.87
IUPAC Namelithium;5-bromo-1,2-dimethylindole;5-bromo-2-methyl-1H-indole;N-tert-butyl-1-(1,2-dimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-(1,2-dimethylindol-5-yl)butan-1-one;6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide
SMILESCC(C)(C)N.CC=C(C(=O)OC)C(=O)OC.CCC/C(=N\C(C)(C)C)c1ccc2c(c1)cc(C)n2C.CCCC(=O)N(C)OC.CCCC(=O)c1ccc2c(c1)cc(C)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(C)n2C.CCc1cc(C(=O)OC)c(=O)[nH]c1-c1ccc2c(c1)cc(C)n2C.Cc1cc2cc(Br)ccc2[nH]1.Cc1cc2cc(Br)ccc2n1C.[Li+].[OH-].[OH-]
InChIInChI=1S/C19H20N2O3.C18H18N2O3.C18H26N2.C14H17NO.C10H10BrN.C9H8BrN.C7H10O4.C6H13NO2.C4H11N.Li.2H2O/c1-5-12-10-15(19(23)24-4)18(22)20-17(12)13-6-7-16-14(9-13)8-11(2)21(16)3;1-4-11-9-14(18(22)23)17(21)19-16(11)12-5-6-15-13(8-12)7-10(2)20(15)3;1-7-8-16(19-18(3,4)5)14-9-10-17-15(12-14)11-13(2)20(17)6;1-4-5-14(16)11-6-7-13-12(9-11)8-10(2)15(13)3;1-7-5-8-6-9(11)3-4-10(8)12(7)2;1-6-4-7-5-8(10)2-3-9(7)11-6;1-4-5(6(8)10-2)7(9)11-3;1-4-5-6(8)7(2)9-3;1-4(2,3)5;;;/h6-10H,5H2,1-4H3,(H,20,22);5-9H,4H2,1-3H3,(H,19,21)(H,22,23);9-12H,7-8H2,1-6H3;6-9H,4-5H2,1-3H3;3-6H,1-2H3;2-5,11H,1H3;4H,1-3H3;4-5H2,1-3H3;5H2,1-3H3;;2*1H2/q;;;;;;;;;+1;;/p-2/b;;19-16+;;;;;;;;;
InChIKeyVMQDRAMGKKGHSW-HIHKBLENSA-L
XLogP19.60
TPSA367.35 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms134
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001958.05
LogP ≤ 519.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze lithium;5-bromo-1,2-dimethylindole;5-bromo-2-methyl-1H-indole;N-tert-butyl-1-(1,2-dimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-(1,2-dimethylindol-5-yl)butan-1-one;6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;5-bromo-1,2-dimethylindole;5-bromo-2-methyl-1H-indole;N-tert-butyl-1-(1,2-dimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-(1,2-dimethylindol-5-yl)butan-1-one;6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide?
The IUPAC name of lithium;5-bromo-1,2-dimethylindole;5-bromo-2-methyl-1H-indole;N-tert-butyl-1-(1,2-dimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-(1,2-dimethylindol-5-yl)butan-1-one;6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide (CID 161447501) is lithium;5-bromo-1,2-dimethylindole;5-bromo-2-methyl-1H-indole;N-tert-butyl-1-(1,2-dimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-(1,2-dimethylindol-5-yl)butan-1-one;6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide.
What is the SMILES notation for lithium;5-bromo-1,2-dimethylindole;5-bromo-2-methyl-1H-indole;N-tert-butyl-1-(1,2-dimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-(1,2-dimethylindol-5-yl)butan-1-one;6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide?
The canonical SMILES for lithium;5-bromo-1,2-dimethylindole;5-bromo-2-methyl-1H-indole;N-tert-butyl-1-(1,2-dimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-(1,2-dimethylindol-5-yl)butan-1-one;6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide is CC(C)(C)N.CC=C(C(=O)OC)C(=O)OC.CCC/C(=N\C(C)(C)C)c1ccc2c(c1)cc(C)n2C.CCCC(=O)N(C)OC.CCCC(=O)c1ccc2c(c1)cc(C)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(C)n2C.CCc1cc(C(=O)OC)c(=O)[nH]c1-c1ccc2c(c1)cc(C)n2C.Cc1cc2cc(Br)ccc2[nH]1.Cc1cc2cc(Br)ccc2n1C.[Li+].[OH-].[OH-].
What is the InChIKey of lithium;5-bromo-1,2-dimethylindole;5-bromo-2-methyl-1H-indole;N-tert-butyl-1-(1,2-dimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-(1,2-dimethylindol-5-yl)butan-1-one;6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide?
The InChIKey is VMQDRAMGKKGHSW-HIHKBLENSA-L. The full InChI is InChI=1S/C19H20N2O3.C18H18N2O3.C18H26N2.C14H17NO.C10H10BrN.C9H8BrN.C7H10O4.C6H13NO2.C4H11N.Li.2H2O/c1-5-12-10-15(19(23)24-4)18(22)20-17(12)13-6-7-16-14(9-13)8-11(2)21(16)3;1-4-11-9-14(18(22)23)17(21)19-16(11)12-5-6-15-13(8-12)7-10(2)20(15)3;1-7-8-16(19-18(3,4)5)14-9-10-17-15(12-14)11-13(2)20(17)6;1-4-5-14(16)11-6-7-13-12(9-11)8-10(2)15(13)3;1-7-5-8-6-9(11)3-4-10(8)12(7)2;1-6-4-7-5-8(10)2-3-9(7)11-6;1-4-5(6(8)10-2)7(9)11-3;1-4-5-6(8)7(2)9-3;1-4(2,3)5;;;/h6-10H,5H2,1-4H3,(H,20,22);5-9H,4H2,1-3H3,(H,19,21)(H,22,23);9-12H,7-8H2,1-6H3;6-9H,4-5H2,1-3H3;3-6H,1-2H3;2-5,11H,1H3;4H,1-3H3;4-5H2,1-3H3;5H2,1-3H3;;2*1H2/q;;;;;;;;;+1;;/p-2/b;;19-16+;;;;;;;;;.
What are the key properties of lithium;5-bromo-1,2-dimethylindole;5-bromo-2-methyl-1H-indole;N-tert-butyl-1-(1,2-dimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-(1,2-dimethylindol-5-yl)butan-1-one;6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide?
lithium;5-bromo-1,2-dimethylindole;5-bromo-2-methyl-1H-indole;N-tert-butyl-1-(1,2-dimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-(1,2-dimethylindol-5-yl)butan-1-one;6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide has a molecular weight of 1958.05 g/mol, XLogP of 19.60, 17 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;5-bromo-1,2-dimethylindole;5-bromo-2-methyl-1H-indole;N-tert-butyl-1-(1,2-dimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-(1,2-dimethylindol-5-yl)butan-1-one;6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide is sourced from PubChem (CID 161447501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).