C111H184N82O8 — CID 158968325
1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;1-carbamimidoyl-1-methyl-2-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;1-(diaminomethylidene)-2-methyl-3-(1H-pyrrol-2-yl)guanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine (PubChem CID 158968325) has the molecular formula C111H184N82O8 and a molecular weight of 2795.26 g/mol. Its IUPAC name is 1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;1-carbamimidoyl-1-methyl-2-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;1-(diaminomethylidene)-2-methyl-3-(1H-pyrrol-2-yl)guanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine.
| Compound Name | 1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;1-carbamimidoyl-1-methyl-2-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;1-(diaminomethylidene)-2-methyl-3-(1H-pyrrol-2-yl)guanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine |
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| PubChem CID | 158968325 |
| Molecular Formula | C111H184N82O8 |
| Molecular Weight | 2795.26 g/mol |
| Exact Mass | 2793.65 |
| IUPAC Name | 1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;1-carbamimidoyl-1-methyl-2-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;1-(diaminomethylidene)-2-methyl-3-(1H-pyrrol-2-yl)guanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine |
| SMILES | C/N=C(/N=C(N)N)N(C)c1ccc[nH]1.C/N=C(/N=C(N)N)N(C)c1ccco1.C/N=C(/N=C(N)N)Nc1ccc[nH]1.C/N=C(/N=C(N)N)Nc1ccco1.C/N=C(\N)N=C(N)N(C)c1ccc[nH]1.C/N=C(\N)N=C(N)N(C)c1ccco1.C/N=C(\N)N=C(N)Nc1ccc[nH]1.C/N=C(\N)NC(N)=Nc1ccco1.CN(C)C(N)=NC(N)=Nc1ccc[nH]1.NC(N)=NC(N)=Nc1ccco1.[H]/N=C(\N(C)/C(N)=N/[H])N(C)c1ccc[nH]1.[H]/N=C(\N)N(C)/C(=N\[H])N(C)c1ccco1.[H]/N=C(\N)N(C)C(N)=Nc1ccc[nH]1.[H]/N=C(\N)N(C)C(N)=Nc1ccco1.[H]/N=C(\N=C(N)N)N(C)c1ccco1 |
| InChI | InChI=1S/4C8H14N6.3C8H13N5O.3C7H12N6.4C7H11N5O.C6H9N5O/c1-14(2)8(10)13-7(9)12-6-4-3-5-11-6;1-11-7(9)13-8(10)14(2)6-4-3-5-12-6;1-13(6-4-3-5-12-6)8(11)14(2)7(9)10;1-11-8(13-7(9)10)14(2)6-4-3-5-12-6;1-11-7(9)12-8(10)13(2)6-4-3-5-14-6;1-12(6-4-3-5-14-6)8(11)13(2)7(9)10;1-11-8(12-7(9)10)13(2)6-4-3-5-14-6;1-10-6(8)13-7(9)12-5-3-2-4-11-5;1-13(6(8)9)7(10)12-5-3-2-4-11-5;1-10-7(13-6(8)9)12-5-3-2-4-11-5;1-10-6(8)12-7(9)11-5-3-2-4-13-5;1-12(5-3-2-4-13-5)7(10)11-6(8)9;1-12(6(8)9)7(10)11-5-3-2-4-13-5;1-10-7(12-6(8)9)11-5-3-2-4-13-5;7-5(8)11-6(9)10-4-2-1-3-12-4/h3-5,11H,1-2H3,(H4,9,10,12,13);3-5,12H,1-2H3,(H4,9,10,11,13);3-5,11-12H,1-2H3,(H3,9,10);3-5,12H,1-2H3,(H4,9,10,11,13);3-5H,1-2H3,(H4,9,10,11,12);3-5,11H,1-2H3,(H3,9,10);3-5H,1-2H3,(H4,9,10,11,12);2-4,11H,1H3,(H5,8,9,10,12,13);2-4,11H,1H3,(H3,8,9)(H2,10,12);2-4,11H,1H3,(H5,8,9,10,12,13);2-4H,1H3,(H5,8,9,10,11,12);2-4H,1H3,(H5,8,9,10,11);2-4H,1H3,(H3,8,9)(H2,10,11);2-4H,1H3,(H5,8,9,10,11,12);1-3H,(H6,7,8,9,10,11)/b;;11-8-;;;11-8-;;;;;;;;; |
| InChIKey | JNMKCDYMNAKNNL-MKJUVQETSA-N |
| XLogP | -1.76 |
| TPSA | 1508.46 Ų |
| H-Bond Donors | 47 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 201 |
| Complexity | — |
3 violations
| Rule | Value |
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| MW ≤ 500 | 2795.26 |
| LogP ≤ 5 | -1.76 |
| H-Bond Donors ≤ 5 | 47 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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