10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]butanoic acid;10-[3-[2-[3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propylamino]ethylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide

C154H199Cl2I3N30O9+2 — CID 161465757

About 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]butanoic acid;10-[3-[2-[3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propylamino]ethylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide

10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]butanoic acid;10-[3-[2-[3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propylamino]ethylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide (PubChem CID 161465757) has the molecular formula C154H199Cl2I3N30O9+2 and a molecular weight of 3066.10 g/mol. Its IUPAC name is 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]butanoic acid;10-[3-[2-[3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propylamino]ethylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide.

Molecular Properties

• Compound Name: 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]butanoic acid;10-[3-[2-[3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propylamino]ethylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide
• PubChem CID: 161465757
• Molecular Formula: C154H199Cl2I3N30O9+2
• Molecular Weight: 3066.10 g/mol
• Exact Mass: 3063.25
• IUPAC Name: 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]butanoic acid;10-[3-[2-[3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propylamino]ethylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide
• SMILES: CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCC(=O)O)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCI)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCNCCN)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCNCCNCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)c2c1.COC(=O)c1cc(NC(=O)c2cc(N)cn2C)cn1C.COC(=O)c1cc(NC(=O)c2cc(NC(=O)CCCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)cn2C)cn1C.[Cl-].[Cl-].[I-].[I-]
• InChI: InChI=1S/C42H56N8.C36H43N7O4.C22H32N5.C21H25N3O2.C20H25IN3.C13H16N4O3.2ClH.2HI/c1-45(2)35-15-11-31-25-32-12-16-36(46(3)4)28-40(32)49(39(31)27-35)23-9-19-43-21-22-44-20-10-24-50-41-29-37(47(5)6)17-13-33(41)26-34-14-18-38(48(7)8)30-42(34)50;1-39(2)28-14-12-24-17-25-13-15-29(40(3)4)21-31(25)43(30(24)20-28)16-10-8-9-11-34(44)37-26-18-32(41(5)22-26)35(45)38-27-19-33(36(46)47-7)42(6)23-27;1-25(2)19-8-6-17-14-18-7-9-20(26(3)4)16-22(18)27(21(17)15-19)13-5-11-24-12-10-23;1-22(2)17-9-7-15-12-16-8-10-18(23(3)4)14-20(16)24(19(15)13-17)11-5-6-21(25)26;1-22(2)17-8-6-15-12-16-7-9-18(23(3)4)14-20(16)24(11-5-10-21)19(15)13-17;1-16-6-8(14)4-10(16)12(18)15-9-5-11(13(19)20-3)17(2)7-9;;;;/h11-18,25-30,43-44H,9-10,19-24H2,1-8H3;12-15,17-23H,8-11,16H2,1-7H3,(H-,37,38,44,45);6-9,14-16,24H,5,10-13,23H2,1-4H3;7-10,12-14H,5-6,11H2,1-4H3;6-9,12-14H,5,10-11H2,1-4H3;4-7H,14H2,1-3H3,(H,15,18);4*1H/q+2;;+1;;+1;;;;;/p-2
• InChIKey: KFQNQKHUDFJFFU-UHFFFAOYSA-L
• XLogP: 9.99
• TPSA: 347.21 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 49
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3066.10
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]butanoic acid;10-[3-[2-[3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propylamino]ethylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide?

The IUPAC name of 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]butanoic acid;10-[3-[2-[3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propylamino]ethylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide (CID 161465757) is 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]butanoic acid;10-[3-[2-[3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propylamino]ethylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide.

What is the SMILES notation for 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]butanoic acid;10-[3-[2-[3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propylamino]ethylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide?

The canonical SMILES for 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]butanoic acid;10-[3-[2-[3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propylamino]ethylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide is CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCC(=O)O)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCI)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCNCCN)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCNCCNCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)c2c1.COC(=O)c1cc(NC(=O)c2cc(N)cn2C)cn1C.COC(=O)c1cc(NC(=O)c2cc(NC(=O)CCCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)cn2C)cn1C.[Cl-].[Cl-].[I-].[I-].

What is the InChIKey of 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]butanoic acid;10-[3-[2-[3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propylamino]ethylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide?

The InChIKey is KFQNQKHUDFJFFU-UHFFFAOYSA-L. The full InChI is InChI=1S/C42H56N8.C36H43N7O4.C22H32N5.C21H25N3O2.C20H25IN3.C13H16N4O3.2ClH.2HI/c1-45(2)35-15-11-31-25-32-12-16-36(46(3)4)28-40(32)49(39(31)27-35)23-9-19-43-21-22-44-20-10-24-50-41-29-37(47(5)6)17-13-33(41)26-34-14-18-38(48(7)8)30-42(34)50;1-39(2)28-14-12-24-17-25-13-15-29(40(3)4)21-31(25)43(30(24)20-28)16-10-8-9-11-34(44)37-26-18-32(41(5)22-26)35(45)38-27-19-33(36(46)47-7)42(6)23-27;1-25(2)19-8-6-17-14-18-7-9-20(26(3)4)16-22(18)27(21(17)15-19)13-5-11-24-12-10-23;1-22(2)17-9-7-15-12-16-8-10-18(23(3)4)14-20(16)24(19(15)13-17)11-5-6-21(25)26;1-22(2)17-8-6-15-12-16-7-9-18(23(3)4)14-20(16)24(11-5-10-21)19(15)13-17;1-16-6-8(14)4-10(16)12(18)15-9-5-11(13(19)20-3)17(2)7-9;;;;/h11-18,25-30,43-44H,9-10,19-24H2,1-8H3;12-15,17-23H,8-11,16H2,1-7H3,(H-,37,38,44,45);6-9,14-16,24H,5,10-13,23H2,1-4H3;7-10,12-14H,5-6,11H2,1-4H3;6-9,12-14H,5,10-11H2,1-4H3;4-7H,14H2,1-3H3,(H,15,18);4*1H/q+2;;+1;;+1;;;;;/p-2.

What are the key properties of 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]butanoic acid;10-[3-[2-[3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propylamino]ethylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide?

10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]butanoic acid;10-[3-[2-[3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propylamino]ethylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide has a molecular weight of 3066.10 g/mol, XLogP of 9.99, 49 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]butanoic acid;10-[3-[2-[3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propylamino]ethylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide is sourced from PubChem (CID 161465757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).