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

C72H134N16O4 — CID 14746230

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

bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate (PubChem CID 14746230) has the molecular formula C72H134N16O4 and a molecular weight of 1287.97 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]amino]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]amino]ethyl] decanedioate
• PubChem CID: 14746230
• Molecular Formula: C72H134N16O4
• Molecular Weight: 1287.97 g/mol
• Exact Mass: 1287.08
• IUPAC Name: bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate
• SMILES: CCCCN(c1nc(NCCOC(=O)CCCCCCCCC(=O)OCCNc2nc(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/C72H134N16O4/c1-21-25-39-85(53-45-65(5,6)81-66(7,8)46-53)61-75-59(76-62(79-61)86(40-26-22-2)54-47-67(9,10)82-68(11,12)48-54)73-37-43-91-57(89)35-33-31-29-30-32-34-36-58(90)92-44-38-74-60-77-63(87(41-27-23-3)55-49-69(13,14)83-70(15,16)50-55)80-64(78-60)88(42-28-24-4)56-51-71(17,18)84-72(19,20)52-56/h53-56,81-84H,21-52H2,1-20H3,(H,73,75,76,79)(H,74,77,78,80)
• InChIKey: ZJSBQMBIVBORJQ-UHFFFAOYSA-N
• XLogP: 13.45
• TPSA: 215.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 37
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1287.97
LogP ≤ 5	13.45
H-Bond Donors ≤ 5	6
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]amino]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]amino]ethyl] decanedioate (CID 14746230) is bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]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]amino]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]amino]ethyl] decanedioate is CCCCN(c1nc(NCCOC(=O)CCCCCCCCC(=O)OCCNc2nc(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]amino]ethyl] decanedioate?

The InChIKey is ZJSBQMBIVBORJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H134N16O4/c1-21-25-39-85(53-45-65(5,6)81-66(7,8)46-53)61-75-59(76-62(79-61)86(40-26-22-2)54-47-67(9,10)82-68(11,12)48-54)73-37-43-91-57(89)35-33-31-29-30-32-34-36-58(90)92-44-38-74-60-77-63(87(41-27-23-3)55-49-69(13,14)83-70(15,16)50-55)80-64(78-60)88(42-28-24-4)56-51-71(17,18)84-72(19,20)52-56/h53-56,81-84H,21-52H2,1-20H3,(H,73,75,76,79)(H,74,77,78,80).

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]amino]ethyl] decanedioate?

bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate has a molecular weight of 1287.97 g/mol, XLogP of 13.45, 37 rotatable bonds, 6 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]amino]ethyl] decanedioate is sourced from PubChem (CID 14746230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).