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

C68H124N16O4-2 — CID 18993536

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

2,2-bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]hexanedioate (PubChem CID 18993536) has the molecular formula C68H124N16O4-2 and a molecular weight of 1229.85 g/mol. Its IUPAC name is 2,2-bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]hexanedioate.

Molecular Properties

• Compound Name: 2,2-bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]hexanedioate
• PubChem CID: 18993536
• Molecular Formula: C68H124N16O4-2
• Molecular Weight: 1229.85 g/mol
• Exact Mass: 1229.00
• IUPAC Name: 2,2-bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]hexanedioate
• SMILES: CCCCN(c1nc(NCCC(CCCC(=O)[O-])(CCNc2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)C(=O)[O-])nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C68H126N16O4/c1-21-25-36-81(48-40-60(5,6)77-61(7,8)41-48)56-71-54(72-57(75-56)82(37-26-22-2)49-42-62(9,10)78-63(11,12)43-49)69-34-32-68(53(87)88,31-29-30-52(85)86)33-35-70-55-73-58(83(38-27-23-3)50-44-64(13,14)79-65(15,16)45-50)76-59(74-55)84(39-28-24-4)51-46-66(17,18)80-67(19,20)47-51/h48-51,77-80H,21-47H2,1-20H3,(H,85,86)(H,87,88)(H,69,71,72,75)(H,70,73,74,76)/p-2
• InChIKey: PQLXLJNRKLWLCC-UHFFFAOYSA-L
• XLogP: 9.68
• TPSA: 242.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 33
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1229.85
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of 2,2-bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]hexanedioate (CID 18993536) is 2,2-bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]hexanedioate.

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

The canonical SMILES for 2,2-bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]hexanedioate is CCCCN(c1nc(NCCC(CCCC(=O)[O-])(CCNc2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)C(=O)[O-])nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.

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

The InChIKey is PQLXLJNRKLWLCC-UHFFFAOYSA-L. The full InChI is InChI=1S/C68H126N16O4/c1-21-25-36-81(48-40-60(5,6)77-61(7,8)41-48)56-71-54(72-57(75-56)82(37-26-22-2)49-42-62(9,10)78-63(11,12)43-49)69-34-32-68(53(87)88,31-29-30-52(85)86)33-35-70-55-73-58(83(38-27-23-3)50-44-64(13,14)79-65(15,16)45-50)76-59(74-55)84(39-28-24-4)51-46-66(17,18)80-67(19,20)47-51/h48-51,77-80H,21-47H2,1-20H3,(H,85,86)(H,87,88)(H,69,71,72,75)(H,70,73,74,76)/p-2.

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

2,2-bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]hexanedioate has a molecular weight of 1229.85 g/mol, XLogP of 9.68, 33 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]hexanedioate is sourced from PubChem (CID 18993536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).