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

C45H87N9O3 — CID 19905578

IUPAC2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(N(CCCC)C2CC(C)(C)N(OC)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C45H87N9O3/c1-19-22-25-49(34-28-40(4,5)52(55-16)41(6,7)29-34)37-46-38(50(26-23-20-2)35-30-42(8,9)53(56-17)43(10,11)31-35)48-39(47-37)51(27-24-21-3)36-32-44(12,13)54(57-18)45(14,15)33-36/h34-36H,19-33H2,1-18H3
InChIKeyFFWUXCFDAJUCEH-UHFFFAOYSA-N
MW802.25 g/mol
LogP9.44
Rot. Bonds18

About 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-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-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 19905578) has the molecular formula C45H87N9O3 and a molecular weight of 802.25 g/mol. Its IUPAC name is 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-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-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID19905578
Molecular FormulaC45H87N9O3
Molecular Weight802.25 g/mol
Exact Mass801.69
IUPAC Name2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(N(CCCC)C2CC(C)(C)N(OC)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C45H87N9O3/c1-19-22-25-49(34-28-40(4,5)52(55-16)41(6,7)29-34)37-46-38(50(26-23-20-2)35-30-42(8,9)53(56-17)43(10,11)31-35)48-39(47-37)51(27-24-21-3)36-32-44(12,13)54(57-18)45(14,15)33-36/h34-36H,19-33H2,1-18H3
InChIKeyFFWUXCFDAJUCEH-UHFFFAOYSA-N
XLogP9.44
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500802.25
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-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-methoxy-2,2,6,6-tetramethylpiperidin-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-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 19905578) is 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-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-methoxy-2,2,6,6-tetramethylpiperidin-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-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCN(c1nc(N(CCCC)C2CC(C)(C)N(OC)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1.
What is the InChIKey of 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FFWUXCFDAJUCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H87N9O3/c1-19-22-25-49(34-28-40(4,5)52(55-16)41(6,7)29-34)37-46-38(50(26-23-20-2)35-30-42(8,9)53(56-17)43(10,11)31-35)48-39(47-37)51(27-24-21-3)36-32-44(12,13)54(57-18)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-methoxy-2,2,6,6-tetramethylpiperidin-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-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 802.25 g/mol, XLogP of 9.44, 18 rotatable bonds, 0 hydrogen bond donors, and 12 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-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19905578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).