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

C31H60N8O — CID 14746199

IUPAC2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCCN(c1nc(NCCO)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C31H60N8O/c1-11-13-16-38(23-19-28(3,4)36-29(5,6)20-23)26-33-25(32-15-18-40)34-27(35-26)39(17-14-12-2)24-21-30(7,8)37-31(9,10)22-24/h23-24,36-37,40H,11-22H2,1-10H3,(H,32,33,34,35)
InChIKeyNTALXEBGSKTAEH-UHFFFAOYSA-N
MW560.88 g/mol
LogP5.11
Rot. Bonds13

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

2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 14746199) has the molecular formula C31H60N8O and a molecular weight of 560.88 g/mol. Its IUPAC name is 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID14746199
Molecular FormulaC31H60N8O
Molecular Weight560.88 g/mol
Exact Mass560.49
IUPAC Name2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCCN(c1nc(NCCO)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C31H60N8O/c1-11-13-16-38(23-19-28(3,4)36-29(5,6)20-23)26-33-25(32-15-18-40)34-27(35-26)39(17-14-12-2)24-21-30(7,8)37-31(9,10)22-24/h23-24,36-37,40H,11-22H2,1-10H3,(H,32,33,34,35)
InChIKeyNTALXEBGSKTAEH-UHFFFAOYSA-N
XLogP5.11
TPSA101.47 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.88
LogP ≤ 55.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol (CID 14746199) is 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol is CCCCN(c1nc(NCCO)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is NTALXEBGSKTAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H60N8O/c1-11-13-16-38(23-19-28(3,4)36-29(5,6)20-23)26-33-25(32-15-18-40)34-27(35-26)39(17-14-12-2)24-21-30(7,8)37-31(9,10)22-24/h23-24,36-37,40H,11-22H2,1-10H3,(H,32,33,34,35).
What are the key properties of 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 560.88 g/mol, XLogP of 5.11, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 14746199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).