bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] decanedioate

C72H132N14O6 — CID 14746218

About bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] decanedioate

bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] decanedioate (PubChem CID 14746218) has the molecular formula C72H132N14O6 and a molecular weight of 1289.94 g/mol. Its IUPAC name is bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] decanedioate.

Molecular Properties

• Compound Name: bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] decanedioate
• PubChem CID: 14746218
• Molecular Formula: C72H132N14O6
• Molecular Weight: 1289.94 g/mol
• Exact Mass: 1289.05
• IUPAC Name: bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] decanedioate
• SMILES: CCCCN(c1nc(OCCOC(=O)CCCCCCCCC(=O)OCCOc2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)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
• InChI: InChI=1S/C72H132N14O6/c1-21-25-37-83(53-45-65(5,6)79-66(7,8)46-53)59-73-60(84(38-26-22-2)54-47-67(9,10)80-68(11,12)48-54)76-63(75-59)91-43-41-89-57(87)35-33-31-29-30-32-34-36-58(88)90-42-44-92-64-77-61(85(39-27-23-3)55-49-69(13,14)81-70(15,16)50-55)74-62(78-64)86(40-28-24-4)56-51-71(17,18)82-72(19,20)52-56/h53-56,79-82H,21-52H2,1-20H3
• InChIKey: RJMXCCZLYSMYHG-UHFFFAOYSA-N
• XLogP: 13.38
• TPSA: 209.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 37
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1289.94
LogP ≤ 5	13.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] decanedioate?

The IUPAC name of bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] decanedioate (CID 14746218) is bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] decanedioate.

What is the SMILES notation for bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] decanedioate?

The canonical SMILES for bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] decanedioate is CCCCN(c1nc(OCCOC(=O)CCCCCCCCC(=O)OCCOc2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)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 bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] decanedioate?

The InChIKey is RJMXCCZLYSMYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H132N14O6/c1-21-25-37-83(53-45-65(5,6)79-66(7,8)46-53)59-73-60(84(38-26-22-2)54-47-67(9,10)80-68(11,12)48-54)76-63(75-59)91-43-41-89-57(87)35-33-31-29-30-32-34-36-58(88)90-42-44-92-64-77-61(85(39-27-23-3)55-49-69(13,14)81-70(15,16)50-55)74-62(78-64)86(40-28-24-4)56-51-71(17,18)82-72(19,20)52-56/h53-56,79-82H,21-52H2,1-20H3.

What are the key properties of bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] decanedioate?

bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] decanedioate has a molecular weight of 1289.94 g/mol, XLogP of 13.38, 37 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] decanedioate is sourced from PubChem (CID 14746218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).