10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[5-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]pentylamino]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;methane;methyl 4-[[4-amino-5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-methylhexanoyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide

C160H216Cl2I3N29O9+2 — CID 158885809

About 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[5-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]pentylamino]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;methane;methyl 4-[[4-amino-5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-methylhexanoyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 4-[(4-amino-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;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[5-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]pentylamino]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;methane;methyl 4-[[4-amino-5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-methylhexanoyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide (PubChem CID 158885809) has the molecular formula C160H216Cl2I3N29O9+2 and a molecular weight of 3141.30 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;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[5-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]pentylamino]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;methane;methyl 4-[[4-amino-5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-methylhexanoyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 4-[(4-amino-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;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[5-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]pentylamino]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;methane;methyl 4-[[4-amino-5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-methylhexanoyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide
• PubChem CID: 158885809
• Molecular Formula: C160H216Cl2I3N29O9+2
• Molecular Weight: 3141.30 g/mol
• Exact Mass: 3138.38
• IUPAC Name: 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[5-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]pentylamino]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;methane;methyl 4-[[4-amino-5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-methylhexanoyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide
• SMILES: C.C.C.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+](CCCCCNCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)c2c1.COC(=O)c1cc(NC(=O)c2cc(N)c(C(=O)C(C)CCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)n2C)cn1C.COC(=O)c1cc(NC(=O)c2cc(N)cn2C)cn1C.[Cl-].[Cl-].[I-].[I-]
• InChI: InChI=1S/C42H55N7.C37H45N7O4.C23H29N3O2.C22H32N5.C20H25IN3.C13H16N4O3.3CH4.2ClH.2HI/c1-43-29-31-11-13-33-25-34-14-12-32(30-44-2)24-40(34)48(39(33)23-31)21-9-7-8-19-45-20-10-22-49-41-27-37(46(3)4)17-15-35(41)26-36-16-18-38(47(5)6)28-42(36)49;1-23(35(45)34-29(38)21-32(43(34)7)36(46)39-26-18-33(37(47)48-8)42(6)22-26)11-9-10-16-44-30-19-27(40(2)3)14-12-24(30)17-25-13-15-28(41(4)5)20-31(25)44;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;1-16-6-8(14)4-10(16)12(18)15-9-5-11(13(19)20-3)17(2)7-9;;;;;;;/h11-18,23-28,43-45H,7-10,19-22,29-30H2,1-6H3;12-15,17-23H,9-11,16H2,1-8H3,(H2-,38,39,45,46);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;4-7H,14H2,1-3H3,(H,15,18);3*1H4;4*1H/q+2;;;2*+1;;;;;;;;/p-2
• InChIKey: YYRVHOQQYTUNOQ-UHFFFAOYSA-L
• XLogP: 13.25
• TPSA: 366.75 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 52
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3141.30
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	10
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;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[5-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]pentylamino]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;methane;methyl 4-[[4-amino-5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-methylhexanoyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 4-[(4-amino-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;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[5-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]pentylamino]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;methane;methyl 4-[[4-amino-5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-methylhexanoyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide (CID 158885809) is 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[5-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]pentylamino]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;methane;methyl 4-[[4-amino-5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-methylhexanoyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 4-[(4-amino-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;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[5-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]pentylamino]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;methane;methyl 4-[[4-amino-5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-methylhexanoyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 4-[(4-amino-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;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[5-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]pentylamino]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;methane;methyl 4-[[4-amino-5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-methylhexanoyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide is C.C.C.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+](CCCCCNCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)c2c1.COC(=O)c1cc(NC(=O)c2cc(N)c(C(=O)C(C)CCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)n2C)cn1C.COC(=O)c1cc(NC(=O)c2cc(N)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;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[5-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]pentylamino]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;methane;methyl 4-[[4-amino-5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-methylhexanoyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide?

The InChIKey is YYRVHOQQYTUNOQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C42H55N7.C37H45N7O4.C23H29N3O2.C22H32N5.C20H25IN3.C13H16N4O3.3CH4.2ClH.2HI/c1-43-29-31-11-13-33-25-34-14-12-32(30-44-2)24-40(34)48(39(33)23-31)21-9-7-8-19-45-20-10-22-49-41-27-37(46(3)4)17-15-35(41)26-36-16-18-38(47(5)6)28-42(36)49;1-23(35(45)34-29(38)21-32(43(34)7)36(46)39-26-18-33(37(47)48-8)42(6)22-26)11-9-10-16-44-30-19-27(40(2)3)14-12-24(30)17-25-13-15-28(41(4)5)20-31(25)44;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;1-16-6-8(14)4-10(16)12(18)15-9-5-11(13(19)20-3)17(2)7-9;;;;;;;/h11-18,23-28,43-45H,7-10,19-22,29-30H2,1-6H3;12-15,17-23H,9-11,16H2,1-8H3,(H2-,38,39,45,46);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;4-7H,14H2,1-3H3,(H,15,18);3*1H4;4*1H/q+2;;;2*+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;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[5-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]pentylamino]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;methane;methyl 4-[[4-amino-5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-methylhexanoyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 4-[(4-amino-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;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[5-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]pentylamino]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;methane;methyl 4-[[4-amino-5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-methylhexanoyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide has a molecular weight of 3141.30 g/mol, XLogP of 13.25, 52 rotatable bonds, 10 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;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[5-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]pentylamino]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;methane;methyl 4-[[4-amino-5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-methylhexanoyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide is sourced from PubChem (CID 158885809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).