C144H243N75O9 — CID 176543040
3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine (PubChem CID 176543040) has the molecular formula C144H243N75O9 and a molecular weight of 3169.04 g/mol. Its IUPAC name is 3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine.
| Compound Name | 3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine |
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| PubChem CID | 176543040 |
| Molecular Formula | C144H243N75O9 |
| Molecular Weight | 3169.04 g/mol |
| Exact Mass | 3167.09 |
| IUPAC Name | 3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine |
| SMILES | C/N=C(/N=C(N)N)N(C)CCc1ccoc1.C/N=C(/N=C(N)N)NCCc1ccoc1.C/N=C(\N)N/C(N)=N/CCC1=CCC=C1.C/N=C(\N)N/C(N)=N/CCc1ccoc1.C/N=C(\N)N=C(N)N(C)CCc1ccoc1.CN(C)C(N)=N/C(N)=N/CCc1ccoc1.NC(N)=N/C(N)=N/CCC1=CCC=C1.NC(N)=N/C(N)=N/CCc1ccoc1.[H]/N=C(/N(C)CCc1ccoc1)N(C)/C(N)=N/[H].[H]/N=C(/N=C(N)N)N(C)CCc1ccoc1.[H]/N=C(\N)N(C)/C(N)=N/CCC1=CCC=C1.[H]/N=C(\N)N(C)/C(N)=N/CCc1ccoc1.[H]/N=C(\N)N/C(=N\C)N(C)CCC1=CCC=C1.[H]/N=C(\N)N/C(=N\C)NCCC1=CCC=C1.[H]/N=C(\N)N=C(N)N(C)CCC1=CCC=C1 |
| InChI | InChI=1S/C11H19N5.4C10H17N5O.4C10H17N5.4C9H15N5O.C9H15N5.C8H13N5O/c1-14-11(15-10(12)13)16(2)8-7-9-5-3-4-6-9;1-15(2)10(12)14-9(11)13-5-3-8-4-6-16-7-8;1-13-9(11)14-10(12)15(2)5-3-8-4-6-16-7-8;1-14(10(13)15(2)9(11)12)5-3-8-4-6-16-7-8;1-13-10(14-9(11)12)15(2)5-3-8-4-6-16-7-8;1-13-9(11)15-10(12)14-7-6-8-4-2-3-5-8;1-15(10(13)14-9(11)12)7-6-8-4-2-3-5-8;1-15(9(11)12)10(13)14-7-6-8-4-2-3-5-8;1-13-10(15-9(11)12)14-7-6-8-4-2-3-5-8;1-12-8(10)14-9(11)13-4-2-7-3-5-15-6-7;1-14(9(12)13-8(10)11)4-2-7-3-5-15-6-7;1-14(8(10)11)9(12)13-4-2-7-3-5-15-6-7;1-12-9(14-8(10)11)13-4-2-7-3-5-15-6-7;10-8(11)14-9(12)13-6-5-7-3-1-2-4-7;9-7(10)13-8(11)12-3-1-6-2-4-14-5-6/h3,5-6H,4,7-8H2,1-2H3,(H4,12,13,14,15);2*4,6-7H,3,5H2,1-2H3,(H4,11,12,13,14);4,6-7,13H,3,5H2,1-2H3,(H3,11,12);4,6-7H,3,5H2,1-2H3,(H4,11,12,13,14);2,4-5H,3,6-7H2,1H3,(H5,11,12,13,14,15);2,4-5H,3,6-7H2,1H3,(H5,11,12,13,14);2,4-5H,3,6-7H2,1H3,(H3,11,12)(H2,13,14);2,4-5H,3,6-7H2,1H3,(H5,11,12,13,14,15);3,5-6H,2,4H2,1H3,(H5,10,11,12,13,14);3,5-6H,2,4H2,1H3,(H5,10,11,12,13);3,5-6H,2,4H2,1H3,(H3,10,11)(H2,12,13);3,5-6H,2,4H2,1H3,(H5,10,11,12,13,14);1,3-4H,2,5-6H2,(H6,10,11,12,13,14);2,4-5H,1,3H2,(H6,9,10,11,12,13)/b;;;13-10-;;;;;;;;;;; |
| InChIKey | ZTYLYVACGIAYDM-ZKALBAQXSA-N |
| XLogP | 0.98 |
| TPSA | 1440.14 Ų |
| H-Bond Donors | 43 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3169.04 |
| LogP ≤ 5 | 0.98 |
| H-Bond Donors ≤ 5 | 43 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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