2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C45H87N9 — CID 22966881

IUPAC2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C45H87N9/c1-19-22-25-52(34-28-40(4,5)49(16)41(6,7)29-34)37-46-38(53(26-23-20-2)35-30-42(8,9)50(17)43(10,11)31-35)48-39(47-37)54(27-24-21-3)36-32-44(12,13)51(18)45(14,15)33-36/h34-36H,19-33H2,1-18H3
InChIKeyKLSFLIMTKGMCGS-UHFFFAOYSA-N
MW754.25 g/mol
LogP9.65
Rot. Bonds15

About 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 22966881) has the molecular formula C45H87N9 and a molecular weight of 754.25 g/mol. Its IUPAC name is 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID22966881
Molecular FormulaC45H87N9
Molecular Weight754.25 g/mol
Exact Mass753.71
IUPAC Name2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C45H87N9/c1-19-22-25-52(34-28-40(4,5)49(16)41(6,7)29-34)37-46-38(53(26-23-20-2)35-30-42(8,9)50(17)43(10,11)31-35)48-39(47-37)54(27-24-21-3)36-32-44(12,13)51(18)45(14,15)33-36/h34-36H,19-33H2,1-18H3
InChIKeyKLSFLIMTKGMCGS-UHFFFAOYSA-N
XLogP9.65
TPSA58.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.25
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 22966881) is 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCN(c1nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KLSFLIMTKGMCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H87N9/c1-19-22-25-52(34-28-40(4,5)49(16)41(6,7)29-34)37-46-38(53(26-23-20-2)35-30-42(8,9)50(17)43(10,11)31-35)48-39(47-37)54(27-24-21-3)36-32-44(12,13)51(18)45(14,15)33-36/h34-36H,19-33H2,1-18H3.
What are the key properties of 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 754.25 g/mol, XLogP of 9.65, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 22966881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).