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

C60H110N16O4 — CID 14746229

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

bis[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate (PubChem CID 14746229) has the molecular formula C60H110N16O4 and a molecular weight of 1119.65 g/mol. Its IUPAC name is bis[2-[[4,6-bis[methyl-(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[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate
• PubChem CID: 14746229
• Molecular Formula: C60H110N16O4
• Molecular Weight: 1119.65 g/mol
• Exact Mass: 1118.89
• IUPAC Name: bis[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate
• SMILES: CN(c1nc(NCCOC(=O)CCCCCCCCC(=O)OCCNc2nc(N(C)C3CC(C)(C)NC(C)(C)C3)nc(N(C)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C60H110N16O4/c1-53(2)33-41(34-54(3,4)69-53)73(17)49-63-47(64-50(67-49)74(18)42-35-55(5,6)70-56(7,8)36-42)61-29-31-79-45(77)27-25-23-21-22-24-26-28-46(78)80-32-30-62-48-65-51(75(19)43-37-57(9,10)71-58(11,12)38-43)68-52(66-48)76(20)44-39-59(13,14)72-60(15,16)40-44/h41-44,69-72H,21-40H2,1-20H3,(H,61,63,64,67)(H,62,65,66,68)
• InChIKey: DZHZLERXNYEOLB-UHFFFAOYSA-N
• XLogP: 8.77
• TPSA: 215.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1119.65
LogP ≤ 5	8.77
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[methyl-(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[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate (CID 14746229) is bis[2-[[4,6-bis[methyl-(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[methyl-(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[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate is CN(c1nc(NCCOC(=O)CCCCCCCCC(=O)OCCNc2nc(N(C)C3CC(C)(C)NC(C)(C)C3)nc(N(C)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(C)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[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate?

The InChIKey is DZHZLERXNYEOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H110N16O4/c1-53(2)33-41(34-54(3,4)69-53)73(17)49-63-47(64-50(67-49)74(18)42-35-55(5,6)70-56(7,8)36-42)61-29-31-79-45(77)27-25-23-21-22-24-26-28-46(78)80-32-30-62-48-65-51(75(19)43-37-57(9,10)71-58(11,12)38-43)68-52(66-48)76(20)44-39-59(13,14)72-60(15,16)40-44/h41-44,69-72H,21-40H2,1-20H3,(H,61,63,64,67)(H,62,65,66,68).

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

bis[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate has a molecular weight of 1119.65 g/mol, XLogP of 8.77, 25 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[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate is sourced from PubChem (CID 14746229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).