magnesium;sodium;carbanide;6-chloro-N-[(1R,5S)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-N-methylpyridazin-3-amine;3-chloro-6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]methyl]pyridazine;1-(chloromethyl)-4-methoxybenzene;3,6-dichloropyridazine;N,N'-dimethoxy-N,N'-dimethylpentanediamide;1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-one;(1R,5S)-1,5-dimethylbicyclo[3.3.1]nonan-3-amine;1,5-dimethylbicyclo[3.3.1]nonan-3-one;N-(1,5-dimethyl-3-bicyclo[3.3.1]nonanylidene)hydroxylamine;ethanol;heptane-2,6-dione;hydride;hydroxylamine;methane;methoxyethane;4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;oxolane;3-oxopentanedioic acid;pentanedioyl dichloride;bromide;dihydrochloride

C150H251BBrCl9MgN15NaO25 — CID 164963493

IUPACmagnesium;sodium;carbanide;6-chloro-N-[(1R,5S)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-N-methylpyridazin-3-amine;3-chloro-6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]methyl]pyridazine;1-(chloromethyl)-4-methoxybenzene;3,6-dichloropyridazine;N,N'-dimethoxy-N,N'-dimethylpentanediamide;1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-one;(1R,5S)-1,5-dimethylbicyclo[3.3.1]nonan-3-amine;1,5-dimethylbicyclo[3.3.1]nonan-3-one;N-(1,5-dimethyl-3-bicyclo[3.3.1]nonanylidene)hydroxylamine;ethanol;heptane-2,6-dione;hydride;hydroxylamine;methane;methoxyethane;4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;oxolane;3-oxopentanedioic acid;pentanedioyl dichloride;bromide;dihydrochloride
SMILESC.C.C1CCOC1.C1CCOC1.CC(=O)CCCC(C)=O.CC12CCCC(C)(CC(=NO)C1)C2.CC12CCCC(C)(CC(=O)C1)C2.CC12CCCC(C)(CC(=O)C1)N2.CCO.CCOC.CN(c1ccc(Cl)nn1)C1C[C@]2(C)CCC[C@](C)(C1)C2.CON(C)C(=O)CCCC(=O)N(C)OC.COc1ccc(CCl)cc1.C[C@]12CCC[C@](C)(CC(Cc3ccc(Cl)nn3)C1)C2.C[C@]12CCC[C@](C)(CC(N)C1)C2.Cc1cc(-c2cnn(C3CCCCO3)c2)ccc1B1OC(C)(C)C(C)(C)O1.Cl.Cl.Clc1ccc(Cl)nn1.NO.O=C(Cl)CCCC(=O)Cl.O=C(O)CC(=O)CC(=O)O.[Br-].[CH3-].[H-].[Mg+2].[Na+]
InChIInChI=1S/C21H29BN2O3.C16H24ClN3.C16H23ClN2.C11H19NO.C11H21N.C11H18O.C10H17NO.C9H18N2O4.C8H9ClO.C7H12O2.C5H6Cl2O2.C5H6O5.C4H2Cl2N2.2C4H8O.C3H8O.C2H6O.2CH4.CH3.BrH.2ClH.Mg.H3NO.Na.H/c1-15-12-16(17-13-23-24(14-17)19-8-6-7-11-25-19)9-10-18(15)22-26-20(2,3)21(4,5)27-22;1-15-7-4-8-16(2,11-15)10-12(9-15)20(3)14-6-5-13(17)18-19-14;1-15-6-3-7-16(2,11-15)10-12(9-15)8-13-4-5-14(17)19-18-13;1-10-4-3-5-11(2,8-10)7-9(6-10)12-13;2*1-10-4-3-5-11(2,8-10)7-9(12)6-10;1-9-4-3-5-10(2,11-9)7-8(12)6-9;1-10(14-3)8(12)6-5-7-9(13)11(2)15-4;1-10-8-4-2-7(6-9)3-5-8;1-6(8)4-3-5-7(2)9;6-4(8)2-1-3-5(7)9;6-3(1-4(7)8)2-5(9)10;5-3-1-2-4(6)8-7-3;2*1-2-4-5-3-1;1-3-4-2;1-2-3;;;;;;;;1-2;;/h9-10,12-14,19H,6-8,11H2,1-5H3;5-6,12H,4,7-11H2,1-3H3;4-5,12H,3,6-11H2,1-2H3;13H,3-8H2,1-2H3;9H,3-8,12H2,1-2H3;3-8H2,1-2H3;11H,3-7H2,1-2H3;5-7H2,1-4H3;2-5H,6H2,1H3;3-5H2,1-2H3;1-3H2;1-2H2,(H,7,8)(H,9,10);1-2H;2*1-4H2;3H2,1-2H3;3H,2H2,1H3;2*1H4;1H3;3*1H;;2H,1H2;;/q;;;;;;;;;;;;;;;;;;;-1;;;;+2;;+1;-1/p-1/t;2*12?,15-,16+;;9?,10-,11+;;;;;;;;;;;;;;;;;;;;;;
InChIKeyPBTMNKMUTWZVJO-ZTCLCTABSA-M
MW3121.83 g/mol
LogP28.13
Rot. Bonds28

About magnesium;sodium;carbanide;6-chloro-N-[(1R,5S)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-N-methylpyridazin-3-amine;3-chloro-6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]methyl]pyridazine;1-(chloromethyl)-4-methoxybenzene;3,6-dichloropyridazine;N,N'-dimethoxy-N,N'-dimethylpentanediamide;1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-one;(1R,5S)-1,5-dimethylbicyclo[3.3.1]nonan-3-amine;1,5-dimethylbicyclo[3.3.1]nonan-3-one;N-(1,5-dimethyl-3-bicyclo[3.3.1]nonanylidene)hydroxylamine;ethanol;heptane-2,6-dione;hydride;hydroxylamine;methane;methoxyethane;4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;oxolane;3-oxopentanedioic acid;pentanedioyl dichloride;bromide;dihydrochloride

magnesium;sodium;carbanide;6-chloro-N-[(1R,5S)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-N-methylpyridazin-3-amine;3-chloro-6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]methyl]pyridazine;1-(chloromethyl)-4-methoxybenzene;3,6-dichloropyridazine;N,N'-dimethoxy-N,N'-dimethylpentanediamide;1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-one;(1R,5S)-1,5-dimethylbicyclo[3.3.1]nonan-3-amine;1,5-dimethylbicyclo[3.3.1]nonan-3-one;N-(1,5-dimethyl-3-bicyclo[3.3.1]nonanylidene)hydroxylamine;ethanol;heptane-2,6-dione;hydride;hydroxylamine;methane;methoxyethane;4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;oxolane;3-oxopentanedioic acid;pentanedioyl dichloride;bromide;dihydrochloride (PubChem CID 164963493) has the molecular formula C150H251BBrCl9MgN15NaO25 and a molecular weight of 3121.83 g/mol. Its IUPAC name is magnesium;sodium;carbanide;6-chloro-N-[(1R,5S)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-N-methylpyridazin-3-amine;3-chloro-6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]methyl]pyridazine;1-(chloromethyl)-4-methoxybenzene;3,6-dichloropyridazine;N,N'-dimethoxy-N,N'-dimethylpentanediamide;1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-one;(1R,5S)-1,5-dimethylbicyclo[3.3.1]nonan-3-amine;1,5-dimethylbicyclo[3.3.1]nonan-3-one;N-(1,5-dimethyl-3-bicyclo[3.3.1]nonanylidene)hydroxylamine;ethanol;heptane-2,6-dione;hydride;hydroxylamine;methane;methoxyethane;4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;oxolane;3-oxopentanedioic acid;pentanedioyl dichloride;bromide;dihydrochloride.

Molecular Properties

Compound Namemagnesium;sodium;carbanide;6-chloro-N-[(1R,5S)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-N-methylpyridazin-3-amine;3-chloro-6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]methyl]pyridazine;1-(chloromethyl)-4-methoxybenzene;3,6-dichloropyridazine;N,N'-dimethoxy-N,N'-dimethylpentanediamide;1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-one;(1R,5S)-1,5-dimethylbicyclo[3.3.1]nonan-3-amine;1,5-dimethylbicyclo[3.3.1]nonan-3-one;N-(1,5-dimethyl-3-bicyclo[3.3.1]nonanylidene)hydroxylamine;ethanol;heptane-2,6-dione;hydride;hydroxylamine;methane;methoxyethane;4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;oxolane;3-oxopentanedioic acid;pentanedioyl dichloride;bromide;dihydrochloride
PubChem CID164963493
Molecular FormulaC150H251BBrCl9MgN15NaO25
Molecular Weight3121.83 g/mol
Exact Mass3114.51
IUPAC Namemagnesium;sodium;carbanide;6-chloro-N-[(1R,5S)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-N-methylpyridazin-3-amine;3-chloro-6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]methyl]pyridazine;1-(chloromethyl)-4-methoxybenzene;3,6-dichloropyridazine;N,N'-dimethoxy-N,N'-dimethylpentanediamide;1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-one;(1R,5S)-1,5-dimethylbicyclo[3.3.1]nonan-3-amine;1,5-dimethylbicyclo[3.3.1]nonan-3-one;N-(1,5-dimethyl-3-bicyclo[3.3.1]nonanylidene)hydroxylamine;ethanol;heptane-2,6-dione;hydride;hydroxylamine;methane;methoxyethane;4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;oxolane;3-oxopentanedioic acid;pentanedioyl dichloride;bromide;dihydrochloride
SMILESC.C.C1CCOC1.C1CCOC1.CC(=O)CCCC(C)=O.CC12CCCC(C)(CC(=NO)C1)C2.CC12CCCC(C)(CC(=O)C1)C2.CC12CCCC(C)(CC(=O)C1)N2.CCO.CCOC.CN(c1ccc(Cl)nn1)C1C[C@]2(C)CCC[C@](C)(C1)C2.CON(C)C(=O)CCCC(=O)N(C)OC.COc1ccc(CCl)cc1.C[C@]12CCC[C@](C)(CC(Cc3ccc(Cl)nn3)C1)C2.C[C@]12CCC[C@](C)(CC(N)C1)C2.Cc1cc(-c2cnn(C3CCCCO3)c2)ccc1B1OC(C)(C)C(C)(C)O1.Cl.Cl.Clc1ccc(Cl)nn1.NO.O=C(Cl)CCCC(=O)Cl.O=C(O)CC(=O)CC(=O)O.[Br-].[CH3-].[H-].[Mg+2].[Na+]
InChIInChI=1S/C21H29BN2O3.C16H24ClN3.C16H23ClN2.C11H19NO.C11H21N.C11H18O.C10H17NO.C9H18N2O4.C8H9ClO.C7H12O2.C5H6Cl2O2.C5H6O5.C4H2Cl2N2.2C4H8O.C3H8O.C2H6O.2CH4.CH3.BrH.2ClH.Mg.H3NO.Na.H/c1-15-12-16(17-13-23-24(14-17)19-8-6-7-11-25-19)9-10-18(15)22-26-20(2,3)21(4,5)27-22;1-15-7-4-8-16(2,11-15)10-12(9-15)20(3)14-6-5-13(17)18-19-14;1-15-6-3-7-16(2,11-15)10-12(9-15)8-13-4-5-14(17)19-18-13;1-10-4-3-5-11(2,8-10)7-9(6-10)12-13;2*1-10-4-3-5-11(2,8-10)7-9(12)6-10;1-9-4-3-5-10(2,11-9)7-8(12)6-9;1-10(14-3)8(12)6-5-7-9(13)11(2)15-4;1-10-8-4-2-7(6-9)3-5-8;1-6(8)4-3-5-7(2)9;6-4(8)2-1-3-5(7)9;6-3(1-4(7)8)2-5(9)10;5-3-1-2-4(6)8-7-3;2*1-2-4-5-3-1;1-3-4-2;1-2-3;;;;;;;;1-2;;/h9-10,12-14,19H,6-8,11H2,1-5H3;5-6,12H,4,7-11H2,1-3H3;4-5,12H,3,6-11H2,1-2H3;13H,3-8H2,1-2H3;9H,3-8,12H2,1-2H3;3-8H2,1-2H3;11H,3-7H2,1-2H3;5-7H2,1-4H3;2-5H,6H2,1H3;3-5H2,1-2H3;1-3H2;1-2H2,(H,7,8)(H,9,10);1-2H;2*1-4H2;3H2,1-2H3;3H,2H2,1H3;2*1H4;1H3;3*1H;;2H,1H2;;/q;;;;;;;;;;;;;;;;;;;-1;;;;+2;;+1;-1/p-1/t;2*12?,15-,16+;;9?,10-,11+;;;;;;;;;;;;;;;;;;;;;;
InChIKeyPBTMNKMUTWZVJO-ZTCLCTABSA-M
XLogP28.13
TPSA553.30 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms203
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003121.83
LogP ≤ 528.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze magnesium;sodium;carbanide;6-chloro-N-[(1R,5S)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-N-methylpyridazin-3-amine;3-chloro-6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]methyl]pyridazine;1-(chloromethyl)-4-methoxybenzene;3,6-dichloropyridazine;N,N'-dimethoxy-N,N'-dimethylpentanediamide;1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-one;(1R,5S)-1,5-dimethylbicyclo[3.3.1]nonan-3-amine;1,5-dimethylbicyclo[3.3.1]nonan-3-one;N-(1,5-dimethyl-3-bicyclo[3.3.1]nonanylidene)hydroxylamine;ethanol;heptane-2,6-dione;hydride;hydroxylamine;methane;methoxyethane;4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;oxolane;3-oxopentanedioic acid;pentanedioyl dichloride;bromide;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;sodium;carbanide;6-chloro-N-[(1R,5S)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-N-methylpyridazin-3-amine;3-chloro-6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]methyl]pyridazine;1-(chloromethyl)-4-methoxybenzene;3,6-dichloropyridazine;N,N'-dimethoxy-N,N'-dimethylpentanediamide;1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-one;(1R,5S)-1,5-dimethylbicyclo[3.3.1]nonan-3-amine;1,5-dimethylbicyclo[3.3.1]nonan-3-one;N-(1,5-dimethyl-3-bicyclo[3.3.1]nonanylidene)hydroxylamine;ethanol;heptane-2,6-dione;hydride;hydroxylamine;methane;methoxyethane;4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;oxolane;3-oxopentanedioic acid;pentanedioyl dichloride;bromide;dihydrochloride?
The IUPAC name of magnesium;sodium;carbanide;6-chloro-N-[(1R,5S)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-N-methylpyridazin-3-amine;3-chloro-6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]methyl]pyridazine;1-(chloromethyl)-4-methoxybenzene;3,6-dichloropyridazine;N,N'-dimethoxy-N,N'-dimethylpentanediamide;1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-one;(1R,5S)-1,5-dimethylbicyclo[3.3.1]nonan-3-amine;1,5-dimethylbicyclo[3.3.1]nonan-3-one;N-(1,5-dimethyl-3-bicyclo[3.3.1]nonanylidene)hydroxylamine;ethanol;heptane-2,6-dione;hydride;hydroxylamine;methane;methoxyethane;4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;oxolane;3-oxopentanedioic acid;pentanedioyl dichloride;bromide;dihydrochloride (CID 164963493) is magnesium;sodium;carbanide;6-chloro-N-[(1R,5S)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-N-methylpyridazin-3-amine;3-chloro-6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]methyl]pyridazine;1-(chloromethyl)-4-methoxybenzene;3,6-dichloropyridazine;N,N'-dimethoxy-N,N'-dimethylpentanediamide;1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-one;(1R,5S)-1,5-dimethylbicyclo[3.3.1]nonan-3-amine;1,5-dimethylbicyclo[3.3.1]nonan-3-one;N-(1,5-dimethyl-3-bicyclo[3.3.1]nonanylidene)hydroxylamine;ethanol;heptane-2,6-dione;hydride;hydroxylamine;methane;methoxyethane;4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;oxolane;3-oxopentanedioic acid;pentanedioyl dichloride;bromide;dihydrochloride.
What is the SMILES notation for magnesium;sodium;carbanide;6-chloro-N-[(1R,5S)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-N-methylpyridazin-3-amine;3-chloro-6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]methyl]pyridazine;1-(chloromethyl)-4-methoxybenzene;3,6-dichloropyridazine;N,N'-dimethoxy-N,N'-dimethylpentanediamide;1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-one;(1R,5S)-1,5-dimethylbicyclo[3.3.1]nonan-3-amine;1,5-dimethylbicyclo[3.3.1]nonan-3-one;N-(1,5-dimethyl-3-bicyclo[3.3.1]nonanylidene)hydroxylamine;ethanol;heptane-2,6-dione;hydride;hydroxylamine;methane;methoxyethane;4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;oxolane;3-oxopentanedioic acid;pentanedioyl dichloride;bromide;dihydrochloride?
The canonical SMILES for magnesium;sodium;carbanide;6-chloro-N-[(1R,5S)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-N-methylpyridazin-3-amine;3-chloro-6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]methyl]pyridazine;1-(chloromethyl)-4-methoxybenzene;3,6-dichloropyridazine;N,N'-dimethoxy-N,N'-dimethylpentanediamide;1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-one;(1R,5S)-1,5-dimethylbicyclo[3.3.1]nonan-3-amine;1,5-dimethylbicyclo[3.3.1]nonan-3-one;N-(1,5-dimethyl-3-bicyclo[3.3.1]nonanylidene)hydroxylamine;ethanol;heptane-2,6-dione;hydride;hydroxylamine;methane;methoxyethane;4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;oxolane;3-oxopentanedioic acid;pentanedioyl dichloride;bromide;dihydrochloride is C.C.C1CCOC1.C1CCOC1.CC(=O)CCCC(C)=O.CC12CCCC(C)(CC(=NO)C1)C2.CC12CCCC(C)(CC(=O)C1)C2.CC12CCCC(C)(CC(=O)C1)N2.CCO.CCOC.CN(c1ccc(Cl)nn1)C1C[C@]2(C)CCC[C@](C)(C1)C2.CON(C)C(=O)CCCC(=O)N(C)OC.COc1ccc(CCl)cc1.C[C@]12CCC[C@](C)(CC(Cc3ccc(Cl)nn3)C1)C2.C[C@]12CCC[C@](C)(CC(N)C1)C2.Cc1cc(-c2cnn(C3CCCCO3)c2)ccc1B1OC(C)(C)C(C)(C)O1.Cl.Cl.Clc1ccc(Cl)nn1.NO.O=C(Cl)CCCC(=O)Cl.O=C(O)CC(=O)CC(=O)O.[Br-].[CH3-].[H-].[Mg+2].[Na+].
What is the InChIKey of magnesium;sodium;carbanide;6-chloro-N-[(1R,5S)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-N-methylpyridazin-3-amine;3-chloro-6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]methyl]pyridazine;1-(chloromethyl)-4-methoxybenzene;3,6-dichloropyridazine;N,N'-dimethoxy-N,N'-dimethylpentanediamide;1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-one;(1R,5S)-1,5-dimethylbicyclo[3.3.1]nonan-3-amine;1,5-dimethylbicyclo[3.3.1]nonan-3-one;N-(1,5-dimethyl-3-bicyclo[3.3.1]nonanylidene)hydroxylamine;ethanol;heptane-2,6-dione;hydride;hydroxylamine;methane;methoxyethane;4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;oxolane;3-oxopentanedioic acid;pentanedioyl dichloride;bromide;dihydrochloride?
The InChIKey is PBTMNKMUTWZVJO-ZTCLCTABSA-M. The full InChI is InChI=1S/C21H29BN2O3.C16H24ClN3.C16H23ClN2.C11H19NO.C11H21N.C11H18O.C10H17NO.C9H18N2O4.C8H9ClO.C7H12O2.C5H6Cl2O2.C5H6O5.C4H2Cl2N2.2C4H8O.C3H8O.C2H6O.2CH4.CH3.BrH.2ClH.Mg.H3NO.Na.H/c1-15-12-16(17-13-23-24(14-17)19-8-6-7-11-25-19)9-10-18(15)22-26-20(2,3)21(4,5)27-22;1-15-7-4-8-16(2,11-15)10-12(9-15)20(3)14-6-5-13(17)18-19-14;1-15-6-3-7-16(2,11-15)10-12(9-15)8-13-4-5-14(17)19-18-13;1-10-4-3-5-11(2,8-10)7-9(6-10)12-13;2*1-10-4-3-5-11(2,8-10)7-9(12)6-10;1-9-4-3-5-10(2,11-9)7-8(12)6-9;1-10(14-3)8(12)6-5-7-9(13)11(2)15-4;1-10-8-4-2-7(6-9)3-5-8;1-6(8)4-3-5-7(2)9;6-4(8)2-1-3-5(7)9;6-3(1-4(7)8)2-5(9)10;5-3-1-2-4(6)8-7-3;2*1-2-4-5-3-1;1-3-4-2;1-2-3;;;;;;;;1-2;;/h9-10,12-14,19H,6-8,11H2,1-5H3;5-6,12H,4,7-11H2,1-3H3;4-5,12H,3,6-11H2,1-2H3;13H,3-8H2,1-2H3;9H,3-8,12H2,1-2H3;3-8H2,1-2H3;11H,3-7H2,1-2H3;5-7H2,1-4H3;2-5H,6H2,1H3;3-5H2,1-2H3;1-3H2;1-2H2,(H,7,8)(H,9,10);1-2H;2*1-4H2;3H2,1-2H3;3H,2H2,1H3;2*1H4;1H3;3*1H;;2H,1H2;;/q;;;;;;;;;;;;;;;;;;;-1;;;;+2;;+1;-1/p-1/t;2*12?,15-,16+;;9?,10-,11+;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of magnesium;sodium;carbanide;6-chloro-N-[(1R,5S)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-N-methylpyridazin-3-amine;3-chloro-6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]methyl]pyridazine;1-(chloromethyl)-4-methoxybenzene;3,6-dichloropyridazine;N,N'-dimethoxy-N,N'-dimethylpentanediamide;1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-one;(1R,5S)-1,5-dimethylbicyclo[3.3.1]nonan-3-amine;1,5-dimethylbicyclo[3.3.1]nonan-3-one;N-(1,5-dimethyl-3-bicyclo[3.3.1]nonanylidene)hydroxylamine;ethanol;heptane-2,6-dione;hydride;hydroxylamine;methane;methoxyethane;4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;oxolane;3-oxopentanedioic acid;pentanedioyl dichloride;bromide;dihydrochloride?
magnesium;sodium;carbanide;6-chloro-N-[(1R,5S)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-N-methylpyridazin-3-amine;3-chloro-6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]methyl]pyridazine;1-(chloromethyl)-4-methoxybenzene;3,6-dichloropyridazine;N,N'-dimethoxy-N,N'-dimethylpentanediamide;1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-one;(1R,5S)-1,5-dimethylbicyclo[3.3.1]nonan-3-amine;1,5-dimethylbicyclo[3.3.1]nonan-3-one;N-(1,5-dimethyl-3-bicyclo[3.3.1]nonanylidene)hydroxylamine;ethanol;heptane-2,6-dione;hydride;hydroxylamine;methane;methoxyethane;4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;oxolane;3-oxopentanedioic acid;pentanedioyl dichloride;bromide;dihydrochloride has a molecular weight of 3121.83 g/mol, XLogP of 28.13, 28 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;sodium;carbanide;6-chloro-N-[(1R,5S)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-N-methylpyridazin-3-amine;3-chloro-6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]methyl]pyridazine;1-(chloromethyl)-4-methoxybenzene;3,6-dichloropyridazine;N,N'-dimethoxy-N,N'-dimethylpentanediamide;1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-one;(1R,5S)-1,5-dimethylbicyclo[3.3.1]nonan-3-amine;1,5-dimethylbicyclo[3.3.1]nonan-3-one;N-(1,5-dimethyl-3-bicyclo[3.3.1]nonanylidene)hydroxylamine;ethanol;heptane-2,6-dione;hydride;hydroxylamine;methane;methoxyethane;4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;oxolane;3-oxopentanedioic acid;pentanedioyl dichloride;bromide;dihydrochloride is sourced from PubChem (CID 164963493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).