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

C37H68N8O4 — CID 18993546

IUPAC2-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]decanedioic acid
SMILESCCN(c1nc(NCCC(CCCCCCCC(=O)O)C(=O)O)nc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C37H68N8O4/c1-11-44(27-22-34(3,4)42-35(5,6)23-27)32-39-31(38-21-20-26(30(48)49)18-16-14-13-15-17-19-29(46)47)40-33(41-32)45(12-2)28-24-36(7,8)43-37(9,10)25-28/h26-28,42-43H,11-25H2,1-10H3,(H,46,47)(H,48,49)(H,38,39,40,41)
InChIKeyIVWRDELPEGOBMK-UHFFFAOYSA-N
MW689.00 g/mol
LogP6.46
Rot. Bonds19

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

2-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]decanedioic acid (PubChem CID 18993546) has the molecular formula C37H68N8O4 and a molecular weight of 689.00 g/mol. Its IUPAC name is 2-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]decanedioic acid.

Molecular Properties

Compound Name2-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]decanedioic acid
PubChem CID18993546
Molecular FormulaC37H68N8O4
Molecular Weight689.00 g/mol
Exact Mass688.54
IUPAC Name2-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]decanedioic acid
SMILESCCN(c1nc(NCCC(CCCCCCCC(=O)O)C(=O)O)nc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C37H68N8O4/c1-11-44(27-22-34(3,4)42-35(5,6)23-27)32-39-31(38-21-20-26(30(48)49)18-16-14-13-15-17-19-29(46)47)40-33(41-32)45(12-2)28-24-36(7,8)43-37(9,10)25-28/h26-28,42-43H,11-25H2,1-10H3,(H,46,47)(H,48,49)(H,38,39,40,41)
InChIKeyIVWRDELPEGOBMK-UHFFFAOYSA-N
XLogP6.46
TPSA155.84 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.00
LogP ≤ 56.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]decanedioic acid?
The IUPAC name of 2-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]decanedioic acid (CID 18993546) is 2-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]decanedioic acid.
What is the SMILES notation for 2-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]decanedioic acid?
The canonical SMILES for 2-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]decanedioic acid is CCN(c1nc(NCCC(CCCCCCCC(=O)O)C(=O)O)nc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]decanedioic acid?
The InChIKey is IVWRDELPEGOBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H68N8O4/c1-11-44(27-22-34(3,4)42-35(5,6)23-27)32-39-31(38-21-20-26(30(48)49)18-16-14-13-15-17-19-29(46)47)40-33(41-32)45(12-2)28-24-36(7,8)43-37(9,10)25-28/h26-28,42-43H,11-25H2,1-10H3,(H,46,47)(H,48,49)(H,38,39,40,41).
What are the key properties of 2-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]decanedioic acid?
2-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]decanedioic acid has a molecular weight of 689.00 g/mol, XLogP of 6.46, 19 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]decanedioic acid is sourced from PubChem (CID 18993546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).