C142H245N81O9 — CID 158854626
1-carbamimidoyl-1,3-dimethyl-3-[(5-methylfuran-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1-methyl-2-[(5-methylfuran-2-yl)methyl]guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methylfuran-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methylfuran-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine (PubChem CID 158854626) has the molecular formula C142H245N81O9 and a molecular weight of 3231.08 g/mol. Its IUPAC name is 1-carbamimidoyl-1,3-dimethyl-3-[(5-methylfuran-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1-methyl-2-[(5-methylfuran-2-yl)methyl]guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methylfuran-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methylfuran-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine.
| Compound Name | 1-carbamimidoyl-1,3-dimethyl-3-[(5-methylfuran-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1-methyl-2-[(5-methylfuran-2-yl)methyl]guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methylfuran-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methylfuran-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine |
|---|---|
| PubChem CID | 158854626 |
| Molecular Formula | C142H245N81O9 |
| Molecular Weight | 3231.08 g/mol |
| Exact Mass | 3229.12 |
| IUPAC Name | 1-carbamimidoyl-1,3-dimethyl-3-[(5-methylfuran-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1-methyl-2-[(5-methylfuran-2-yl)methyl]guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methylfuran-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methylfuran-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine |
| SMILES | C/N=C(/N=C(N)N)N(C)Cc1ccc(C)[nH]1.C/N=C(/N=C(N)N)N(C)Cc1ccc(C)o1.C/N=C(/N=C(N)N)NCc1ccc(C)o1.C/N=C(\N)N/C(N)=N/Cc1ccc(C)[nH]1.C/N=C(\N)N/C(N)=N/Cc1ccc(C)o1.C/N=C(\N)N=C(N)N(C)Cc1ccc(C)[nH]1.C/N=C(\N)N=C(N)N(C)Cc1ccc(C)o1.Cc1ccc(C/N=C(\N)N=C(N)N(C)C)[nH]1.Cc1ccc(C/N=C(\N)N=C(N)N(C)C)o1.Cc1ccc(C/N=C(\N)N=C(N)N)o1.[H]/N=C(/N(C)Cc1ccc(C)[nH]1)N(C)/C(N)=N/[H].[H]/N=C(/N(C)Cc1ccc(C)o1)N(C)/C(N)=N/[H].[H]/N=C(/N=C(N)N)N(C)Cc1ccc(C)o1.[H]/N=C(\N)N(C)/C(N)=N/Cc1ccc(C)[nH]1.[H]/N=C(\N)N(C)/C(N)=N/Cc1ccc(C)o1 |
| InChI | InChI=1S/4C10H18N6.4C10H17N5O.2C9H16N6.4C9H15N5O.C8H13N5O/c1-7-4-5-8(14-7)6-13-9(11)15-10(12)16(2)3;1-7-4-5-8(14-7)6-16(3)10(12)15-9(11)13-2;1-7-4-5-8(14-7)6-15(2)10(13)16(3)9(11)12;1-7-4-5-8(14-7)6-16(3)10(13-2)15-9(11)12;1-7-4-5-8(16-7)6-13-9(11)14-10(12)15(2)3;1-7-4-5-8(16-7)6-15(3)10(12)14-9(11)13-2;1-7-4-5-8(16-7)6-14(2)10(13)15(3)9(11)12;1-7-4-5-8(16-7)6-15(3)10(13-2)14-9(11)12;1-6-3-4-7(14-6)5-13-9(11)15-8(10)12-2;1-6-3-4-7(14-6)5-13-9(12)15(2)8(10)11;1-6-3-4-7(15-6)5-13-9(11)14-8(10)12-2;1-6-3-4-7(15-6)5-14(2)9(12)13-8(10)11;1-6-3-4-7(15-6)5-13-9(12)14(2)8(10)11;1-6-3-4-7(15-6)5-13-9(12-2)14-8(10)11;1-5-2-3-6(14-5)4-12-8(11)13-7(9)10/h2*4-5,14H,6H2,1-3H3,(H4,11,12,13,15);4-5,13-14H,6H2,1-3H3,(H3,11,12);4-5,14H,6H2,1-3H3,(H4,11,12,13,15);2*4-5H,6H2,1-3H3,(H4,11,12,13,14);4-5,13H,6H2,1-3H3,(H3,11,12);4-5H,6H2,1-3H3,(H4,11,12,13,14);3-4,14H,5H2,1-2H3,(H5,10,11,12,13,15);3-4,14H,5H2,1-2H3,(H3,10,11)(H2,12,13);3-4H,5H2,1-2H3,(H5,10,11,12,13,14);3-4H,5H2,1-2H3,(H5,10,11,12,13);3-4H,5H2,1-2H3,(H3,10,11)(H2,12,13);3-4H,5H2,1-2H3,(H5,10,11,12,13,14);2-3H,4H2,1H3,(H6,9,10,11,12,13)/b;;13-10-;;;;13-10-;;;;;;;; |
| InChIKey | IZWSSIJLLUZJPG-GCPUZCEASA-N |
| XLogP | 1.81 |
| TPSA | 1497.02 Ų |
| H-Bond Donors | 45 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 232 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3231.08 |
| LogP ≤ 5 | 1.81 |
| H-Bond Donors ≤ 5 | 45 |
| H-Bond Acceptors ≤ 10 | 30 |