magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(3-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methylbenzaldehyde;thionyl dichloride;chloride

C120H145Cl3MgN18O13SSi2 — CID 162221336

About magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(3-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methylbenzaldehyde;thionyl dichloride;chloride

magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(3-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methylbenzaldehyde;thionyl dichloride;chloride (PubChem CID 162221336) has the molecular formula C120H145Cl3MgN18O13SSi2 and a molecular weight of 2266.50 g/mol. Its IUPAC name is magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(3-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methylbenzaldehyde;thionyl dichloride;chloride.

Molecular Properties

• Compound Name: magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(3-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methylbenzaldehyde;thionyl dichloride;chloride
• PubChem CID: 162221336
• Molecular Formula: C120H145Cl3MgN18O13SSi2
• Molecular Weight: 2266.50 g/mol
• Exact Mass: 2262.94
• IUPAC Name: magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(3-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methylbenzaldehyde;thionyl dichloride;chloride
• SMILES: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.C[Si](C)(C)N(c1c[c-]ccc1)[Si](C)(C)C.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.Cc1cccc(C(O)c2cccc(N)c2)c1.Cc1cccc(C=O)c1.NCC1CC1.NCCNCCN.O=S(Cl)Cl.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(NCC3CC3)c3cccc(C)c3)c2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(O)c3cccc(C)c3)c2)c1.[Cl-].[Mg+2]
• InChI: InChI=1S/C30H29N5O.C26H22N4O2.C14H15NO.C12H9N3O2.C12H22NSi2.C10H18O5.C8H8O.C4H13N3.C4H9N.Cl2OS.ClH.Mg/c1-20-7-4-8-23(15-20)29(32-19-22-13-14-22)24-9-5-11-26(17-24)33-30(36)28-16-21(2)34-35(28)27-12-6-10-25(18-27)31-3;1-17-7-4-8-19(13-17)25(31)20-9-5-11-22(15-20)28-26(32)24-14-18(2)29-30(24)23-12-6-10-21(16-23)27-3;1-10-4-2-5-11(8-10)14(16)12-6-3-7-13(15)9-12;1-8-5-11(12(16)17)15(14-8)10-4-2-3-9(6-10)7-13;1-14(2,3)13(15(4,5)6)12-10-8-7-9-11-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-7-3-2-4-8(5-7)6-9;5-1-3-7-4-2-6;5-3-4-1-2-4;1-4(2)3;;/h4-12,15-18,22,29,32H,13-14,19H2,1-2H3,(H,33,36);4-16,25,31H,1-2H3,(H,28,32);2-9,14,16H,15H2,1H3;2-6H,1H3,(H,16,17);7-8,10-11H,1-6H3;1-6H3;2-6H,1H3;7H,1-6H2;4H,1-3,5H2;;1H;/q;;;;-1;;;;;;;+2/p-1
• InChIKey: QVTSBQLFHRGFTG-UHFFFAOYSA-M
• XLogP: 21.32
• TPSA: 449.28 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2266.50
LogP ≤ 5	21.32
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(3-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methylbenzaldehyde;thionyl dichloride;chloride?

The IUPAC name of magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(3-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methylbenzaldehyde;thionyl dichloride;chloride (CID 162221336) is magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(3-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methylbenzaldehyde;thionyl dichloride;chloride.

What is the SMILES notation for magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(3-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methylbenzaldehyde;thionyl dichloride;chloride?

The canonical SMILES for magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(3-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methylbenzaldehyde;thionyl dichloride;chloride is CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.C[Si](C)(C)N(c1c[c-]ccc1)[Si](C)(C)C.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.Cc1cccc(C(O)c2cccc(N)c2)c1.Cc1cccc(C=O)c1.NCC1CC1.NCCNCCN.O=S(Cl)Cl.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(NCC3CC3)c3cccc(C)c3)c2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(O)c3cccc(C)c3)c2)c1.[Cl-].[Mg+2].

What is the InChIKey of magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(3-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methylbenzaldehyde;thionyl dichloride;chloride?

The InChIKey is QVTSBQLFHRGFTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H29N5O.C26H22N4O2.C14H15NO.C12H9N3O2.C12H22NSi2.C10H18O5.C8H8O.C4H13N3.C4H9N.Cl2OS.ClH.Mg/c1-20-7-4-8-23(15-20)29(32-19-22-13-14-22)24-9-5-11-26(17-24)33-30(36)28-16-21(2)34-35(28)27-12-6-10-25(18-27)31-3;1-17-7-4-8-19(13-17)25(31)20-9-5-11-22(15-20)28-26(32)24-14-18(2)29-30(24)23-12-6-10-21(16-23)27-3;1-10-4-2-5-11(8-10)14(16)12-6-3-7-13(15)9-12;1-8-5-11(12(16)17)15(14-8)10-4-2-3-9(6-10)7-13;1-14(2,3)13(15(4,5)6)12-10-8-7-9-11-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-7-3-2-4-8(5-7)6-9;5-1-3-7-4-2-6;5-3-4-1-2-4;1-4(2)3;;/h4-12,15-18,22,29,32H,13-14,19H2,1-2H3,(H,33,36);4-16,25,31H,1-2H3,(H,28,32);2-9,14,16H,15H2,1H3;2-6H,1H3,(H,16,17);7-8,10-11H,1-6H3;1-6H3;2-6H,1H3;7H,1-6H2;4H,1-3,5H2;;1H;/q;;;;-1;;;;;;;+2/p-1.

What are the key properties of magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(3-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methylbenzaldehyde;thionyl dichloride;chloride?

magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(3-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methylbenzaldehyde;thionyl dichloride;chloride has a molecular weight of 2266.50 g/mol, XLogP of 21.32, 26 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(3-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methylbenzaldehyde;thionyl dichloride;chloride is sourced from PubChem (CID 162221336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).