lithium;5-bromo-1-methylindole;N-tert-butyl-3-methyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;N-methoxy-N,3-dimethylbutanamide;6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid;3-methyl-1-(1-methylindol-5-yl)butan-1-one;methyl 6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide

C96H127BrLiN10O15- — CID 157292195

About lithium;5-bromo-1-methylindole;N-tert-butyl-3-methyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;N-methoxy-N,3-dimethylbutanamide;6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid;3-methyl-1-(1-methylindol-5-yl)butan-1-one;methyl 6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide

lithium;5-bromo-1-methylindole;N-tert-butyl-3-methyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;N-methoxy-N,3-dimethylbutanamide;6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid;3-methyl-1-(1-methylindol-5-yl)butan-1-one;methyl 6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide (PubChem CID 157292195) has the molecular formula C96H127BrLiN10O15- and a molecular weight of 1747.97 g/mol. Its IUPAC name is lithium;5-bromo-1-methylindole;N-tert-butyl-3-methyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;N-methoxy-N,3-dimethylbutanamide;6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid;3-methyl-1-(1-methylindol-5-yl)butan-1-one;methyl 6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide.

Molecular Properties

• Compound Name: lithium;5-bromo-1-methylindole;N-tert-butyl-3-methyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;N-methoxy-N,3-dimethylbutanamide;6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid;3-methyl-1-(1-methylindol-5-yl)butan-1-one;methyl 6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide
• PubChem CID: 157292195
• Molecular Formula: C96H127BrLiN10O15-
• Molecular Weight: 1747.97 g/mol
• Exact Mass: 1745.88
• IUPAC Name: lithium;5-bromo-1-methylindole;N-tert-butyl-3-methyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;N-methoxy-N,3-dimethylbutanamide;6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid;3-methyl-1-(1-methylindol-5-yl)butan-1-one;methyl 6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide
• SMILES: CC(C)(C)N.CC(C)C/C(=N\C(C)(C)C)c1ccc2c(ccn2C)c1.CC(C)CC(=O)c1ccc2c(ccn2C)c1.CC(C)c1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2C)c1.CC=C(C(=O)OC)C(=O)OC.COC(=O)c1cc(C(C)C)c(-c2ccc3c(ccn3C)c2)[nH]c1=O.CON(C)C(=O)CC(C)C.Cn1ccc2cc(Br)ccc21.[Li+].[OH-].[OH-]
• InChI: InChI=1S/C19H20N2O3.C18H18N2O3.C18H26N2.C14H17NO.C9H8BrN.C7H15NO2.C7H10O4.C4H11N.Li.2H2O/c1-11(2)14-10-15(19(23)24-4)18(22)20-17(14)13-5-6-16-12(9-13)7-8-21(16)3;1-10(2)13-9-14(18(22)23)17(21)19-16(13)12-4-5-15-11(8-12)6-7-20(15)3;1-13(2)11-16(19-18(3,4)5)14-7-8-17-15(12-14)9-10-20(17)6;1-10(2)8-14(16)12-4-5-13-11(9-12)6-7-15(13)3;1-11-5-4-7-6-8(10)2-3-9(7)11;1-6(2)5-7(9)8(3)10-4;1-4-5(6(8)10-2)7(9)11-3;1-4(2,3)5;;;/h5-11H,1-4H3,(H,20,22);4-10H,1-3H3,(H,19,21)(H,22,23);7-10,12-13H,11H2,1-6H3;4-7,9-10H,8H2,1-3H3;2-6H,1H3;6H,5H2,1-4H3;4H,1-3H3;5H2,1-3H3;;2*1H2/q;;;;;;;;+1;;/p-2/b;;19-16+
• InChIKey: IBXBBIDCHWCFHR-RBPJLRSGSA-L
• XLogP: 16.68
• TPSA: 351.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1747.97
LogP ≤ 5	16.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

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'}

Frequently Asked Questions

What is the IUPAC name of lithium;5-bromo-1-methylindole;N-tert-butyl-3-methyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;N-methoxy-N,3-dimethylbutanamide;6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid;3-methyl-1-(1-methylindol-5-yl)butan-1-one;methyl 6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide?

The IUPAC name of lithium;5-bromo-1-methylindole;N-tert-butyl-3-methyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;N-methoxy-N,3-dimethylbutanamide;6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid;3-methyl-1-(1-methylindol-5-yl)butan-1-one;methyl 6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide (CID 157292195) is lithium;5-bromo-1-methylindole;N-tert-butyl-3-methyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;N-methoxy-N,3-dimethylbutanamide;6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid;3-methyl-1-(1-methylindol-5-yl)butan-1-one;methyl 6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide.

What is the SMILES notation for lithium;5-bromo-1-methylindole;N-tert-butyl-3-methyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;N-methoxy-N,3-dimethylbutanamide;6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid;3-methyl-1-(1-methylindol-5-yl)butan-1-one;methyl 6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide?

The canonical SMILES for lithium;5-bromo-1-methylindole;N-tert-butyl-3-methyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;N-methoxy-N,3-dimethylbutanamide;6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid;3-methyl-1-(1-methylindol-5-yl)butan-1-one;methyl 6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide is CC(C)(C)N.CC(C)C/C(=N\C(C)(C)C)c1ccc2c(ccn2C)c1.CC(C)CC(=O)c1ccc2c(ccn2C)c1.CC(C)c1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2C)c1.CC=C(C(=O)OC)C(=O)OC.COC(=O)c1cc(C(C)C)c(-c2ccc3c(ccn3C)c2)[nH]c1=O.CON(C)C(=O)CC(C)C.Cn1ccc2cc(Br)ccc21.[Li+].[OH-].[OH-].

What is the InChIKey of lithium;5-bromo-1-methylindole;N-tert-butyl-3-methyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;N-methoxy-N,3-dimethylbutanamide;6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid;3-methyl-1-(1-methylindol-5-yl)butan-1-one;methyl 6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide?

The InChIKey is IBXBBIDCHWCFHR-RBPJLRSGSA-L. The full InChI is InChI=1S/C19H20N2O3.C18H18N2O3.C18H26N2.C14H17NO.C9H8BrN.C7H15NO2.C7H10O4.C4H11N.Li.2H2O/c1-11(2)14-10-15(19(23)24-4)18(22)20-17(14)13-5-6-16-12(9-13)7-8-21(16)3;1-10(2)13-9-14(18(22)23)17(21)19-16(13)12-4-5-15-11(8-12)6-7-20(15)3;1-13(2)11-16(19-18(3,4)5)14-7-8-17-15(12-14)9-10-20(17)6;1-10(2)8-14(16)12-4-5-13-11(9-12)6-7-15(13)3;1-11-5-4-7-6-8(10)2-3-9(7)11;1-6(2)5-7(9)8(3)10-4;1-4-5(6(8)10-2)7(9)11-3;1-4(2,3)5;;;/h5-11H,1-4H3,(H,20,22);4-10H,1-3H3,(H,19,21)(H,22,23);7-10,12-13H,11H2,1-6H3;4-7,9-10H,8H2,1-3H3;2-6H,1H3;6H,5H2,1-4H3;4H,1-3H3;5H2,1-3H3;;2*1H2/q;;;;;;;;+1;;/p-2/b;;19-16+;;;;;;;;.

What are the key properties of lithium;5-bromo-1-methylindole;N-tert-butyl-3-methyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;N-methoxy-N,3-dimethylbutanamide;6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid;3-methyl-1-(1-methylindol-5-yl)butan-1-one;methyl 6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide?

lithium;5-bromo-1-methylindole;N-tert-butyl-3-methyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;N-methoxy-N,3-dimethylbutanamide;6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid;3-methyl-1-(1-methylindol-5-yl)butan-1-one;methyl 6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide has a molecular weight of 1747.97 g/mol, XLogP of 16.68, 17 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;5-bromo-1-methylindole;N-tert-butyl-3-methyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;N-methoxy-N,3-dimethylbutanamide;6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid;3-methyl-1-(1-methylindol-5-yl)butan-1-one;methyl 6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide is sourced from PubChem (CID 157292195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).