2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-hexylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-methylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane;3-methyl-4-(2-methylpropyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;tridecane

C132H260N32O2 — CID 159198430

IUPAC2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-hexylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-methylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane;3-methyl-4-(2-methylpropyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;tridecane
SMILESC.C.C.C.CC(C)CC1C(=O)N(C2CC(C)(C)NC(C)(C)C2)C(=O)C1C.CCCCCCCCCCCCC.CCCCCCN(CNc1ncnc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1)CNc1nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1.CCCCN(c1nc(NCN(C)CNc2ncnc(N(CC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C51H97N15.C46H87N15.C18H32N2O2.C13H28.4CH4/c1-17-21-24-25-26-63(36-54-41-52-35-53-43(56-41)64(20-4)38-29-46(5,6)60-47(7,8)30-38)37-55-42-57-44(65(27-22-18-2)39-31-48(9,10)61-49(11,12)32-39)59-45(58-42)66(28-23-19-3)40-33-50(13,14)62-51(15,16)34-40;1-17-20-22-60(34-26-43(8,9)56-44(10,11)27-34)39-52-37(53-40(54-39)61(23-21-18-2)35-28-45(12,13)57-46(14,15)29-35)50-32-58(16)31-49-36-47-30-48-38(51-36)59(19-3)33-24-41(4,5)55-42(6,7)25-33;1-11(2)8-14-12(3)15(21)20(16(14)22)13-9-17(4,5)19-18(6,7)10-13;1-3-5-7-9-11-13-12-10-8-6-4-2;;;;/h35,38-40,60-62H,17-34,36-37H2,1-16H3,(H,52,53,54,56)(H,55,57,58,59);30,33-35,55-57H,17-29,31-32H2,1-16H3,(H,47,48,49,51)(H,50,52,53,54);11-14,19H,8-10H2,1-7H3;3-13H2,1-2H3;4*1H4
InChIKeyKOYUXIYLDVTWTQ-UHFFFAOYSA-N
MW2327.75 g/mol
LogP27.56
Rot. Bonds56

About 2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-hexylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-methylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane;3-methyl-4-(2-methylpropyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;tridecane

2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-hexylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-methylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane;3-methyl-4-(2-methylpropyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;tridecane (PubChem CID 159198430) has the molecular formula C132H260N32O2 and a molecular weight of 2327.75 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-hexylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-methylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane;3-methyl-4-(2-methylpropyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;tridecane.

Molecular Properties

Compound Name2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-hexylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-methylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane;3-methyl-4-(2-methylpropyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;tridecane
PubChem CID159198430
Molecular FormulaC132H260N32O2
Molecular Weight2327.75 g/mol
Exact Mass2326.12
IUPAC Name2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-hexylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-methylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane;3-methyl-4-(2-methylpropyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;tridecane
SMILESC.C.C.C.CC(C)CC1C(=O)N(C2CC(C)(C)NC(C)(C)C2)C(=O)C1C.CCCCCCCCCCCCC.CCCCCCN(CNc1ncnc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1)CNc1nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1.CCCCN(c1nc(NCN(C)CNc2ncnc(N(CC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C51H97N15.C46H87N15.C18H32N2O2.C13H28.4CH4/c1-17-21-24-25-26-63(36-54-41-52-35-53-43(56-41)64(20-4)38-29-46(5,6)60-47(7,8)30-38)37-55-42-57-44(65(27-22-18-2)39-31-48(9,10)61-49(11,12)32-39)59-45(58-42)66(28-23-19-3)40-33-50(13,14)62-51(15,16)34-40;1-17-20-22-60(34-26-43(8,9)56-44(10,11)27-34)39-52-37(53-40(54-39)61(23-21-18-2)35-28-45(12,13)57-46(14,15)29-35)50-32-58(16)31-49-36-47-30-48-38(51-36)59(19-3)33-24-41(4,5)55-42(6,7)25-33;1-11(2)8-14-12(3)15(21)20(16(14)22)13-9-17(4,5)19-18(6,7)10-13;1-3-5-7-9-11-13-12-10-8-6-4-2;;;;/h35,38-40,60-62H,17-34,36-37H2,1-16H3,(H,52,53,54,56)(H,55,57,58,59);30,33-35,55-57H,17-29,31-32H2,1-16H3,(H,47,48,49,51)(H,50,52,53,54);11-14,19H,8-10H2,1-7H3;3-13H2,1-2H3;4*1H4
InChIKeyKOYUXIYLDVTWTQ-UHFFFAOYSA-N
XLogP27.56
TPSA350.31 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds56
Heavy Atoms166
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002327.75
LogP ≤ 527.56
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-hexylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-methylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane;3-methyl-4-(2-methylpropyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;tridecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-hexylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-methylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane;3-methyl-4-(2-methylpropyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;tridecane?
The IUPAC name of 2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-hexylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-methylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane;3-methyl-4-(2-methylpropyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;tridecane (CID 159198430) is 2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-hexylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-methylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane;3-methyl-4-(2-methylpropyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;tridecane.
What is the SMILES notation for 2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-hexylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-methylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane;3-methyl-4-(2-methylpropyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;tridecane?
The canonical SMILES for 2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-hexylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-methylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane;3-methyl-4-(2-methylpropyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;tridecane is C.C.C.C.CC(C)CC1C(=O)N(C2CC(C)(C)NC(C)(C)C2)C(=O)C1C.CCCCCCCCCCCCC.CCCCCCN(CNc1ncnc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1)CNc1nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1.CCCCN(c1nc(NCN(C)CNc2ncnc(N(CC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-hexylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-methylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane;3-methyl-4-(2-methylpropyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;tridecane?
The InChIKey is KOYUXIYLDVTWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H97N15.C46H87N15.C18H32N2O2.C13H28.4CH4/c1-17-21-24-25-26-63(36-54-41-52-35-53-43(56-41)64(20-4)38-29-46(5,6)60-47(7,8)30-38)37-55-42-57-44(65(27-22-18-2)39-31-48(9,10)61-49(11,12)32-39)59-45(58-42)66(28-23-19-3)40-33-50(13,14)62-51(15,16)34-40;1-17-20-22-60(34-26-43(8,9)56-44(10,11)27-34)39-52-37(53-40(54-39)61(23-21-18-2)35-28-45(12,13)57-46(14,15)29-35)50-32-58(16)31-49-36-47-30-48-38(51-36)59(19-3)33-24-41(4,5)55-42(6,7)25-33;1-11(2)8-14-12(3)15(21)20(16(14)22)13-9-17(4,5)19-18(6,7)10-13;1-3-5-7-9-11-13-12-10-8-6-4-2;;;;/h35,38-40,60-62H,17-34,36-37H2,1-16H3,(H,52,53,54,56)(H,55,57,58,59);30,33-35,55-57H,17-29,31-32H2,1-16H3,(H,47,48,49,51)(H,50,52,53,54);11-14,19H,8-10H2,1-7H3;3-13H2,1-2H3;4*1H4.
What are the key properties of 2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-hexylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-methylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane;3-methyl-4-(2-methylpropyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;tridecane?
2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-hexylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-methylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane;3-methyl-4-(2-methylpropyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;tridecane has a molecular weight of 2327.75 g/mol, XLogP of 27.56, 56 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-hexylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N-dibutyl-6-N-[[[[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl-methylamino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane;3-methyl-4-(2-methylpropyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;tridecane is sourced from PubChem (CID 159198430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).