1-[amino-(3,4-dihydroxyanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(3,4-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(3,4-dihydroxyphenyl)-1-methylguanidine;1-carbamimidoyl-2-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-(3,4-dihydroxyphenyl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(3,4-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(3,4-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-(3,4-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine

C97H144N50O20 — CID 157060559

About 1-[amino-(3,4-dihydroxyanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(3,4-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(3,4-dihydroxyphenyl)-1-methylguanidine;1-carbamimidoyl-2-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-(3,4-dihydroxyphenyl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(3,4-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(3,4-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-(3,4-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine

1-[amino-(3,4-dihydroxyanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(3,4-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(3,4-dihydroxyphenyl)-1-methylguanidine;1-carbamimidoyl-2-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-(3,4-dihydroxyphenyl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(3,4-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(3,4-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-(3,4-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine (PubChem CID 157060559) has the molecular formula C97H144N50O20 and a molecular weight of 2330.55 g/mol. Its IUPAC name is 1-[amino-(3,4-dihydroxyanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(3,4-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(3,4-dihydroxyphenyl)-1-methylguanidine;1-carbamimidoyl-2-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-(3,4-dihydroxyphenyl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(3,4-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(3,4-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-(3,4-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine.

Molecular Properties

• Compound Name: 1-[amino-(3,4-dihydroxyanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(3,4-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(3,4-dihydroxyphenyl)-1-methylguanidine;1-carbamimidoyl-2-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-(3,4-dihydroxyphenyl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(3,4-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(3,4-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-(3,4-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
• PubChem CID: 157060559
• Molecular Formula: C97H144N50O20
• Molecular Weight: 2330.55 g/mol
• Exact Mass: 2329.18
• IUPAC Name: 1-[amino-(3,4-dihydroxyanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(3,4-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(3,4-dihydroxyphenyl)-1-methylguanidine;1-carbamimidoyl-2-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-(3,4-dihydroxyphenyl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(3,4-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(3,4-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-(3,4-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
• SMILES: C/N=C(/N=C(N)N)N(C)c1ccc(O)c(O)c1.C/N=C(/N=C(N)N)NCc1ccc(O)c(O)c1.C/N=C(\N)N=C(N)N(C)c1ccc(O)c(O)c1.C/N=C(\N)N=C(N)Nc1ccc(O)c(O)c1.CN(C)C(N)=N/C(N)=N/c1ccc(O)c(O)c1.NC(N)=N/C(N)=N/Cc1ccc(O)c(O)c1.[H]/N=C(/N=C(N)N)N(C)Cc1ccc(O)c(O)c1.[H]/N=C(\N(C)/C(N)=N/[H])N(C)c1ccc(O)c(O)c1.[H]/N=C(\N)N(C)/C(N)=N/Cc1ccc(O)c(O)c1.[H]/N=C(\N)N(C)/C(N)=N/c1ccc(O)c(O)c1
• InChI: InChI=1S/7C10H15N5O2.3C9H13N5O2/c1-15(2)10(12)14-9(11)13-6-3-4-7(16)8(17)5-6;1-13-9(11)14-10(12)15(2)6-3-4-7(16)8(17)5-6;1-14(10(13)15(2)9(11)12)6-3-4-7(16)8(17)5-6;1-13-10(14-9(11)12)15(2)6-3-4-7(16)8(17)5-6;1-15(10(13)14-9(11)12)5-6-2-3-7(16)8(17)4-6;1-15(9(11)12)10(13)14-5-6-2-3-7(16)8(17)4-6;1-13-10(15-9(11)12)14-5-6-2-3-7(16)8(17)4-6;1-12-8(10)14-9(11)13-5-2-3-6(15)7(16)4-5;1-14(8(10)11)9(12)13-5-2-3-6(15)7(16)4-5;10-8(11)14-9(12)13-4-5-1-2-6(15)7(16)3-5/h2*3-5,16-17H,1-2H3,(H4,11,12,13,14);3-5,13,16-17H,1-2H3,(H3,11,12);3-5,16-17H,1-2H3,(H4,11,12,13,14);2-4,16-17H,5H2,1H3,(H5,11,12,13,14);2-4,16-17H,5H2,1H3,(H3,11,12)(H2,13,14);2-4,16-17H,5H2,1H3,(H5,11,12,13,14,15);2-4,15-16H,1H3,(H5,10,11,12,13,14);2-4,15-16H,1H3,(H3,10,11)(H2,12,13);1-3,15-16H,4H2,(H6,10,11,12,13,14)/b;;13-10-
• InChIKey: ABHAYIGYQXRNSL-NEVNKZKTSA-N
• XLogP: -2.45
• TPSA: 1279.63 Ų
• H-Bond Donors: 47
• H-Bond Acceptors: 33
• Rotatable Bonds: 14
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2330.55
LogP ≤ 5	-2.45
H-Bond Donors ≤ 5	47
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3,4-dihydroxyanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(3,4-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(3,4-dihydroxyphenyl)-1-methylguanidine;1-carbamimidoyl-2-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-(3,4-dihydroxyphenyl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(3,4-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(3,4-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-(3,4-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?

The IUPAC name of 1-[amino-(3,4-dihydroxyanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(3,4-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(3,4-dihydroxyphenyl)-1-methylguanidine;1-carbamimidoyl-2-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-(3,4-dihydroxyphenyl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(3,4-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(3,4-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-(3,4-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine (CID 157060559) is 1-[amino-(3,4-dihydroxyanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(3,4-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(3,4-dihydroxyphenyl)-1-methylguanidine;1-carbamimidoyl-2-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-(3,4-dihydroxyphenyl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(3,4-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(3,4-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-(3,4-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine.

What is the SMILES notation for 1-[amino-(3,4-dihydroxyanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(3,4-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(3,4-dihydroxyphenyl)-1-methylguanidine;1-carbamimidoyl-2-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-(3,4-dihydroxyphenyl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(3,4-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(3,4-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-(3,4-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?

The canonical SMILES for 1-[amino-(3,4-dihydroxyanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(3,4-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(3,4-dihydroxyphenyl)-1-methylguanidine;1-carbamimidoyl-2-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-(3,4-dihydroxyphenyl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(3,4-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(3,4-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-(3,4-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine is C/N=C(/N=C(N)N)N(C)c1ccc(O)c(O)c1.C/N=C(/N=C(N)N)NCc1ccc(O)c(O)c1.C/N=C(\N)N=C(N)N(C)c1ccc(O)c(O)c1.C/N=C(\N)N=C(N)Nc1ccc(O)c(O)c1.CN(C)C(N)=N/C(N)=N/c1ccc(O)c(O)c1.NC(N)=N/C(N)=N/Cc1ccc(O)c(O)c1.[H]/N=C(/N=C(N)N)N(C)Cc1ccc(O)c(O)c1.[H]/N=C(\N(C)/C(N)=N/[H])N(C)c1ccc(O)c(O)c1.[H]/N=C(\N)N(C)/C(N)=N/Cc1ccc(O)c(O)c1.[H]/N=C(\N)N(C)/C(N)=N/c1ccc(O)c(O)c1.

What is the InChIKey of 1-[amino-(3,4-dihydroxyanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(3,4-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(3,4-dihydroxyphenyl)-1-methylguanidine;1-carbamimidoyl-2-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-(3,4-dihydroxyphenyl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(3,4-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(3,4-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-(3,4-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?

The InChIKey is ABHAYIGYQXRNSL-NEVNKZKTSA-N. The full InChI is InChI=1S/7C10H15N5O2.3C9H13N5O2/c1-15(2)10(12)14-9(11)13-6-3-4-7(16)8(17)5-6;1-13-9(11)14-10(12)15(2)6-3-4-7(16)8(17)5-6;1-14(10(13)15(2)9(11)12)6-3-4-7(16)8(17)5-6;1-13-10(14-9(11)12)15(2)6-3-4-7(16)8(17)5-6;1-15(10(13)14-9(11)12)5-6-2-3-7(16)8(17)4-6;1-15(9(11)12)10(13)14-5-6-2-3-7(16)8(17)4-6;1-13-10(15-9(11)12)14-5-6-2-3-7(16)8(17)4-6;1-12-8(10)14-9(11)13-5-2-3-6(15)7(16)4-5;1-14(8(10)11)9(12)13-5-2-3-6(15)7(16)4-5;10-8(11)14-9(12)13-4-5-1-2-6(15)7(16)3-5/h2*3-5,16-17H,1-2H3,(H4,11,12,13,14);3-5,13,16-17H,1-2H3,(H3,11,12);3-5,16-17H,1-2H3,(H4,11,12,13,14);2-4,16-17H,5H2,1H3,(H5,11,12,13,14);2-4,16-17H,5H2,1H3,(H3,11,12)(H2,13,14);2-4,16-17H,5H2,1H3,(H5,11,12,13,14,15);2-4,15-16H,1H3,(H5,10,11,12,13,14);2-4,15-16H,1H3,(H3,10,11)(H2,12,13);1-3,15-16H,4H2,(H6,10,11,12,13,14)/b;;13-10-;;;;;;;.

What are the key properties of 1-[amino-(3,4-dihydroxyanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(3,4-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(3,4-dihydroxyphenyl)-1-methylguanidine;1-carbamimidoyl-2-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-(3,4-dihydroxyphenyl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(3,4-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(3,4-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-(3,4-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?

1-[amino-(3,4-dihydroxyanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(3,4-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(3,4-dihydroxyphenyl)-1-methylguanidine;1-carbamimidoyl-2-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-(3,4-dihydroxyphenyl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(3,4-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(3,4-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-(3,4-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine has a molecular weight of 2330.55 g/mol, XLogP of -2.45, 14 rotatable bonds, 47 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[amino-(3,4-dihydroxyanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(3,4-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(3,4-dihydroxyphenyl)-1-methylguanidine;1-carbamimidoyl-2-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-(3,4-dihydroxyphenyl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(3,4-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(3,4-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-(3,4-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine is sourced from PubChem (CID 157060559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).