6-N-[3-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl-octadecylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C82H159N17 — CID 59247798

About 6-N-[3-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl-octadecylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

6-N-[3-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl-octadecylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 59247798) has the molecular formula C82H159N17 and a molecular weight of 1383.29 g/mol. Its IUPAC name is 6-N-[3-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl-octadecylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 6-N-[3-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl-octadecylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 59247798
• Molecular Formula: C82H159N17
• Molecular Weight: 1383.29 g/mol
• Exact Mass: 1382.30
• IUPAC Name: 6-N-[3-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl-octadecylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCCCCCCCCCCCCCCCCN(CCCNc1nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)CCCNc1nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1
• InChI: InChI=1S/C82H159N17/c1-22-27-32-33-34-35-36-37-38-39-40-41-42-43-44-45-50-95(51-46-48-83-69-85-71(96(53-28-23-2)65-57-75(6,7)91-76(8,9)58-65)89-72(86-69)97(54-29-24-3)66-59-77(10,11)92-78(12,13)60-66)52-47-49-84-70-87-73(98(55-30-25-4)67-61-79(14,15)93-80(16,17)62-67)90-74(88-70)99(56-31-26-5)68-63-81(18,19)94-82(20,21)64-68/h65-68,91-94H,22-64H2,1-21H3,(H,83,85,86,89)(H,84,87,88,90)
• InChIKey: IQCNWKDZVAUNCX-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 165.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 47
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1383.29
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl-octadecylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 6-N-[3-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl-octadecylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 59247798) is 6-N-[3-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl-octadecylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 6-N-[3-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl-octadecylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 6-N-[3-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl-octadecylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCCCCCCCCCCCCCCCN(CCCNc1nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)CCCNc1nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1.

What is the InChIKey of 6-N-[3-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl-octadecylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is IQCNWKDZVAUNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H159N17/c1-22-27-32-33-34-35-36-37-38-39-40-41-42-43-44-45-50-95(51-46-48-83-69-85-71(96(53-28-23-2)65-57-75(6,7)91-76(8,9)58-65)89-72(86-69)97(54-29-24-3)66-59-77(10,11)92-78(12,13)60-66)52-47-49-84-70-87-73(98(55-30-25-4)67-61-79(14,15)93-80(16,17)62-67)90-74(88-70)99(56-31-26-5)68-63-81(18,19)94-82(20,21)64-68/h65-68,91-94H,22-64H2,1-21H3,(H,83,85,86,89)(H,84,87,88,90).

What are the key properties of 6-N-[3-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl-octadecylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

6-N-[3-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl-octadecylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1383.29 g/mol, XLogP of 18.59, 47 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[3-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl-octadecylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 59247798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).