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

C33H62N8O2 — CID 14746206

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

ethyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 14746206) has the molecular formula C33H62N8O2 and a molecular weight of 602.91 g/mol. Its IUPAC name is ethyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

• Compound Name: ethyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
• PubChem CID: 14746206
• Molecular Formula: C33H62N8O2
• Molecular Weight: 602.91 g/mol
• Exact Mass: 602.50
• IUPAC Name: ethyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
• SMILES: CCCCN(c1nc(NCC(=O)OCC)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C33H62N8O2/c1-12-15-17-40(24-19-30(4,5)38-31(6,7)20-24)28-35-27(34-23-26(42)43-14-3)36-29(37-28)41(18-16-13-2)25-21-32(8,9)39-33(10,11)22-25/h24-25,38-39H,12-23H2,1-11H3,(H,34,35,36,37)
• InChIKey: YVTRAUYSHXIOSJ-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 107.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.91
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of ethyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate (CID 14746206) is ethyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate.

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

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

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

The InChIKey is YVTRAUYSHXIOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H62N8O2/c1-12-15-17-40(24-19-30(4,5)38-31(6,7)20-24)28-35-27(34-23-26(42)43-14-3)36-29(37-28)41(18-16-13-2)25-21-32(8,9)39-33(10,11)22-25/h24-25,38-39H,12-23H2,1-11H3,(H,34,35,36,37).

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

ethyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 602.91 g/mol, XLogP of 5.68, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 14746206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).