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

C64H118N16O4 — CID 14746214

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

bis[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate (PubChem CID 14746214) has the molecular formula C64H118N16O4 and a molecular weight of 1175.76 g/mol. Its IUPAC name is bis[2-[[4,6-bis[ethyl-(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[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate
• PubChem CID: 14746214
• Molecular Formula: C64H118N16O4
• Molecular Weight: 1175.76 g/mol
• Exact Mass: 1174.95
• IUPAC Name: bis[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate
• SMILES: CCN(c1nc(NCCOC(=O)CCCCCCCCC(=O)OCCNc2nc(N(CC)C3CC(C)(C)NC(C)(C)C3)nc(N(CC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C64H118N16O4/c1-21-77(45-37-57(5,6)73-58(7,8)38-45)53-67-51(68-54(71-53)78(22-2)46-39-59(9,10)74-60(11,12)40-46)65-33-35-83-49(81)31-29-27-25-26-28-30-32-50(82)84-36-34-66-52-69-55(79(23-3)47-41-61(13,14)75-62(15,16)42-47)72-56(70-52)80(24-4)48-43-63(17,18)76-64(19,20)44-48/h45-48,73-76H,21-44H2,1-20H3,(H,65,67,68,71)(H,66,69,70,72)
• InChIKey: WCBUZEJFRANKMT-UHFFFAOYSA-N
• XLogP: 10.33
• TPSA: 215.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1175.76
LogP ≤ 5	10.33
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[ethyl-(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[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate (CID 14746214) is bis[2-[[4,6-bis[ethyl-(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[ethyl-(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[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate is CCN(c1nc(NCCOC(=O)CCCCCCCCC(=O)OCCNc2nc(N(CC)C3CC(C)(C)NC(C)(C)C3)nc(N(CC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CC)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[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate?

The InChIKey is WCBUZEJFRANKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H118N16O4/c1-21-77(45-37-57(5,6)73-58(7,8)38-45)53-67-51(68-54(71-53)78(22-2)46-39-59(9,10)74-60(11,12)40-46)65-33-35-83-49(81)31-29-27-25-26-28-30-32-50(82)84-36-34-66-52-69-55(79(23-3)47-41-61(13,14)75-62(15,16)42-47)72-56(70-52)80(24-4)48-43-63(17,18)76-64(19,20)44-48/h45-48,73-76H,21-44H2,1-20H3,(H,65,67,68,71)(H,66,69,70,72).

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

bis[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate has a molecular weight of 1175.76 g/mol, XLogP of 10.33, 29 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[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate is sourced from PubChem (CID 14746214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).