10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-amino-1-methylpyrrole-2-carboxamide;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]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-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 1-methylpyrrole-2-carboxylate;chloride;diiodide

C157H206ClI3N29O9+3 — CID 169424758

About 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-amino-1-methylpyrrole-2-carboxamide;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]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-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 1-methylpyrrole-2-carboxylate;chloride;diiodide

10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-amino-1-methylpyrrole-2-carboxamide;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]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-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 1-methylpyrrole-2-carboxylate;chloride;diiodide (PubChem CID 169424758) has the molecular formula C157H206ClI3N29O9+3 and a molecular weight of 3059.73 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-amino-1-methylpyrrole-2-carboxamide;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]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-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 1-methylpyrrole-2-carboxylate;chloride;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-amino-1-methylpyrrole-2-carboxamide;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]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-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 1-methylpyrrole-2-carboxylate;chloride;diiodide
• PubChem CID: 169424758
• Molecular Formula: C157H206ClI3N29O9+3
• Molecular Weight: 3059.73 g/mol
• Exact Mass: 3057.34
• IUPAC Name: 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-amino-1-methylpyrrole-2-carboxamide;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]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-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 1-methylpyrrole-2-carboxylate;chloride;diiodide
• SMILES: CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)O)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCI)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCNCCN)c2c1.CNCc1ccc2cc3ccc(CNC)cc3[n+](CCCCCCNCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)c2c1.COC(=O)c1cc(NC(=O)c2cc(NC(=O)CCCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)cn2C)cn1C.COC(=O)c1cccn1C.Cn1cc(N)cc1C(N)=O.[Cl-].[I-].[I-]
• InChI: InChI=1S/C43H57N7.C36H43N7O4.C23H29N3O2.C22H32N5.C20H25IN3.C7H9NO2.C6H9N3O.ClH.2HI/c1-44-30-32-12-14-34-26-35-15-13-33(31-45-2)25-41(35)49(40(34)24-32)22-10-8-7-9-20-46-21-11-23-50-42-28-38(47(3)4)18-16-36(42)27-37-17-19-39(48(5)6)29-43(37)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;1-24(2)19-11-9-17-14-18-10-12-20(25(3)4)16-22(18)26(21(17)15-19)13-7-5-6-8-23(27)28;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)17-8-6-15-12-16-7-9-18(23(3)4)14-20(16)24(11-5-10-21)19(15)13-17;1-8-5-3-4-6(8)7(9)10-2;1-9-3-4(7)2-5(9)6(8)10;;;/h12-19,24-29,44-46H,7-11,20-23,30-31H2,1-6H3;12-15,17-23H,8-11,16H2,1-7H3,(H-,37,38,44,45);9-12,14-16H,5-8,13H2,1-4H3;6-9,14-16,24H,5,10-13,23H2,1-4H3;6-9,12-14H,5,10-11H2,1-4H3;3-5H,1-2H3;2-3H,7H2,1H3,(H2,8,10);3*1H/q+2;;;2*+1;;;;;/p-1
• InChIKey: BKMQIBIIDHPYKX-UHFFFAOYSA-M
• XLogP: 14.19
• TPSA: 366.75 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 52
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3059.73
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

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-amino-1-methylpyrrole-2-carboxamide;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]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-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 1-methylpyrrole-2-carboxylate;chloride;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-amino-1-methylpyrrole-2-carboxamide;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]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-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 1-methylpyrrole-2-carboxylate;chloride;diiodide (CID 169424758) is 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-amino-1-methylpyrrole-2-carboxamide;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]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-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 1-methylpyrrole-2-carboxylate;chloride;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-amino-1-methylpyrrole-2-carboxamide;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]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-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 1-methylpyrrole-2-carboxylate;chloride;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-amino-1-methylpyrrole-2-carboxamide;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]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-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 1-methylpyrrole-2-carboxylate;chloride;diiodide is CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)O)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCI)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCNCCN)c2c1.CNCc1ccc2cc3ccc(CNC)cc3[n+](CCCCCCNCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)c2c1.COC(=O)c1cc(NC(=O)c2cc(NC(=O)CCCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)cn2C)cn1C.COC(=O)c1cccn1C.Cn1cc(N)cc1C(N)=O.[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-amino-1-methylpyrrole-2-carboxamide;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]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-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 1-methylpyrrole-2-carboxylate;chloride;diiodide?

The InChIKey is BKMQIBIIDHPYKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C43H57N7.C36H43N7O4.C23H29N3O2.C22H32N5.C20H25IN3.C7H9NO2.C6H9N3O.ClH.2HI/c1-44-30-32-12-14-34-26-35-15-13-33(31-45-2)25-41(35)49(40(34)24-32)22-10-8-7-9-20-46-21-11-23-50-42-28-38(47(3)4)18-16-36(42)27-37-17-19-39(48(5)6)29-43(37)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;1-24(2)19-11-9-17-14-18-10-12-20(25(3)4)16-22(18)26(21(17)15-19)13-7-5-6-8-23(27)28;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)17-8-6-15-12-16-7-9-18(23(3)4)14-20(16)24(11-5-10-21)19(15)13-17;1-8-5-3-4-6(8)7(9)10-2;1-9-3-4(7)2-5(9)6(8)10;;;/h12-19,24-29,44-46H,7-11,20-23,30-31H2,1-6H3;12-15,17-23H,8-11,16H2,1-7H3,(H-,37,38,44,45);9-12,14-16H,5-8,13H2,1-4H3;6-9,14-16,24H,5,10-13,23H2,1-4H3;6-9,12-14H,5,10-11H2,1-4H3;3-5H,1-2H3;2-3H,7H2,1H3,(H2,8,10);3*1H/q+2;;;2*+1;;;;;/p-1.

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-amino-1-methylpyrrole-2-carboxamide;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]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-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 1-methylpyrrole-2-carboxylate;chloride;diiodide?

10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-amino-1-methylpyrrole-2-carboxamide;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]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-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 1-methylpyrrole-2-carboxylate;chloride;diiodide has a molecular weight of 3059.73 g/mol, XLogP of 14.19, 52 rotatable bonds, 10 hydrogen bond donors, and 28 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-amino-1-methylpyrrole-2-carboxamide;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]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-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 1-methylpyrrole-2-carboxylate;chloride;diiodide is sourced from PubChem (CID 169424758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).