lithium;magnesium;N-tert-butyl-1-(1-methylindol-6-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole-6-carbonitrile;1-(1-methylindol-6-yl)butan-1-one;2-methylpropan-2-amine;propane;chloride;dihydroxide

C89H111ClLiMgN10O13- — CID 159692902

About lithium;magnesium;N-tert-butyl-1-(1-methylindol-6-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole-6-carbonitrile;1-(1-methylindol-6-yl)butan-1-one;2-methylpropan-2-amine;propane;chloride;dihydroxide

lithium;magnesium;N-tert-butyl-1-(1-methylindol-6-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole-6-carbonitrile;1-(1-methylindol-6-yl)butan-1-one;2-methylpropan-2-amine;propane;chloride;dihydroxide (PubChem CID 159692902) has the molecular formula C89H111ClLiMgN10O13- and a molecular weight of 1595.62 g/mol. Its IUPAC name is lithium;magnesium;N-tert-butyl-1-(1-methylindol-6-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole-6-carbonitrile;1-(1-methylindol-6-yl)butan-1-one;2-methylpropan-2-amine;propane;chloride;dihydroxide.

Molecular Properties

• Compound Name: lithium;magnesium;N-tert-butyl-1-(1-methylindol-6-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole-6-carbonitrile;1-(1-methylindol-6-yl)butan-1-one;2-methylpropan-2-amine;propane;chloride;dihydroxide
• PubChem CID: 159692902
• Molecular Formula: C89H111ClLiMgN10O13-
• Molecular Weight: 1595.62 g/mol
• Exact Mass: 1593.80
• IUPAC Name: lithium;magnesium;N-tert-butyl-1-(1-methylindol-6-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole-6-carbonitrile;1-(1-methylindol-6-yl)butan-1-one;2-methylpropan-2-amine;propane;chloride;dihydroxide
• SMILES: CC(C)(C)N.CC=C(C(=O)OC)C(=O)OC.CCC/C(=N\C(C)(C)C)c1ccc2ccn(C)c2c1.CCCC(=O)c1ccc2ccn(C)c2c1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2ccn(C)c2c1.CCc1cc(C(=O)OC)c(=O)[nH]c1-c1ccc2ccn(C)c2c1.Cn1ccc2ccc(C#N)cc21.[CH2-]CC.[Cl-].[Li+].[Mg+2].[OH-].[OH-]
• InChI: InChI=1S/C18H18N2O3.C17H16N2O3.C17H24N2.C13H15NO.C10H8N2.C7H10O4.C4H11N.C3H7.ClH.Li.Mg.2H2O/c1-4-11-9-14(18(22)23-3)17(21)19-16(11)13-6-5-12-7-8-20(2)15(12)10-13;1-3-10-8-13(17(21)22)16(20)18-15(10)12-5-4-11-6-7-19(2)14(11)9-12;1-6-7-15(18-17(2,3)4)14-9-8-13-10-11-19(5)16(13)12-14;1-3-4-13(15)11-6-5-10-7-8-14(2)12(10)9-11;1-12-5-4-9-3-2-8(7-11)6-10(9)12;1-4-5(6(8)10-2)7(9)11-3;1-4(2,3)5;1-3-2;;;;;/h5-10H,4H2,1-3H3,(H,19,21);4-9H,3H2,1-2H3,(H,18,20)(H,21,22);8-12H,6-7H2,1-5H3;5-9H,3-4H2,1-2H3;2-6H,1H3;4H,1-3H3;5H2,1-3H3;1,3H2,2H3;1H;;;2*1H2/q;;;;;;;-1;;+1;+2;;/p-3/b;;18-15+
• InChIKey: BOHIKUULUFZXIW-RLODSRBHSA-K
• XLogP: 10.98
• TPSA: 345.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1595.62
LogP ≤ 5	10.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;magnesium;N-tert-butyl-1-(1-methylindol-6-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole-6-carbonitrile;1-(1-methylindol-6-yl)butan-1-one;2-methylpropan-2-amine;propane;chloride;dihydroxide?

The IUPAC name of lithium;magnesium;N-tert-butyl-1-(1-methylindol-6-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole-6-carbonitrile;1-(1-methylindol-6-yl)butan-1-one;2-methylpropan-2-amine;propane;chloride;dihydroxide (CID 159692902) is lithium;magnesium;N-tert-butyl-1-(1-methylindol-6-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole-6-carbonitrile;1-(1-methylindol-6-yl)butan-1-one;2-methylpropan-2-amine;propane;chloride;dihydroxide.

What is the SMILES notation for lithium;magnesium;N-tert-butyl-1-(1-methylindol-6-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole-6-carbonitrile;1-(1-methylindol-6-yl)butan-1-one;2-methylpropan-2-amine;propane;chloride;dihydroxide?

The canonical SMILES for lithium;magnesium;N-tert-butyl-1-(1-methylindol-6-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole-6-carbonitrile;1-(1-methylindol-6-yl)butan-1-one;2-methylpropan-2-amine;propane;chloride;dihydroxide is CC(C)(C)N.CC=C(C(=O)OC)C(=O)OC.CCC/C(=N\C(C)(C)C)c1ccc2ccn(C)c2c1.CCCC(=O)c1ccc2ccn(C)c2c1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2ccn(C)c2c1.CCc1cc(C(=O)OC)c(=O)[nH]c1-c1ccc2ccn(C)c2c1.Cn1ccc2ccc(C#N)cc21.[CH2-]CC.[Cl-].[Li+].[Mg+2].[OH-].[OH-].

What is the InChIKey of lithium;magnesium;N-tert-butyl-1-(1-methylindol-6-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole-6-carbonitrile;1-(1-methylindol-6-yl)butan-1-one;2-methylpropan-2-amine;propane;chloride;dihydroxide?

The InChIKey is BOHIKUULUFZXIW-RLODSRBHSA-K. The full InChI is InChI=1S/C18H18N2O3.C17H16N2O3.C17H24N2.C13H15NO.C10H8N2.C7H10O4.C4H11N.C3H7.ClH.Li.Mg.2H2O/c1-4-11-9-14(18(22)23-3)17(21)19-16(11)13-6-5-12-7-8-20(2)15(12)10-13;1-3-10-8-13(17(21)22)16(20)18-15(10)12-5-4-11-6-7-19(2)14(11)9-12;1-6-7-15(18-17(2,3)4)14-9-8-13-10-11-19(5)16(13)12-14;1-3-4-13(15)11-6-5-10-7-8-14(2)12(10)9-11;1-12-5-4-9-3-2-8(7-11)6-10(9)12;1-4-5(6(8)10-2)7(9)11-3;1-4(2,3)5;1-3-2;;;;;/h5-10H,4H2,1-3H3,(H,19,21);4-9H,3H2,1-2H3,(H,18,20)(H,21,22);8-12H,6-7H2,1-5H3;5-9H,3-4H2,1-2H3;2-6H,1H3;4H,1-3H3;5H2,1-3H3;1,3H2,2H3;1H;;;2*1H2/q;;;;;;;-1;;+1;+2;;/p-3/b;;18-15+;;;;;;;;;;.

What are the key properties of lithium;magnesium;N-tert-butyl-1-(1-methylindol-6-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole-6-carbonitrile;1-(1-methylindol-6-yl)butan-1-one;2-methylpropan-2-amine;propane;chloride;dihydroxide?

lithium;magnesium;N-tert-butyl-1-(1-methylindol-6-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole-6-carbonitrile;1-(1-methylindol-6-yl)butan-1-one;2-methylpropan-2-amine;propane;chloride;dihydroxide has a molecular weight of 1595.62 g/mol, XLogP of 10.98, 14 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;magnesium;N-tert-butyl-1-(1-methylindol-6-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-6-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole-6-carbonitrile;1-(1-methylindol-6-yl)butan-1-one;2-methylpropan-2-amine;propane;chloride;dihydroxide is sourced from PubChem (CID 159692902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).