4-N,6-N-dioctyl-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C55H106N10 — CID 14365122

IUPAC4-N,6-N-dioctyl-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCN(c1nc(N(CCCCCCCC)C2CC(C)(C)NC(C)(C)C2)nc(N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C55H106N10/c1-19-21-23-25-27-29-31-63(41-33-48(3,4)59-49(5,6)34-41)45-56-46(64(32-30-28-26-24-22-20-2)42-35-50(7,8)60-51(9,10)36-42)58-47(57-45)65(43-37-52(11,12)61-53(13,14)38-43)44-39-54(15,16)62-55(17,18)40-44/h41-44,59-62H,19-40H2,1-18H3
InChIKeyWEJIGWVIIBFILA-UHFFFAOYSA-N
MW907.52 g/mol
LogP12.25
Rot. Bonds21

About 4-N,6-N-dioctyl-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

4-N,6-N-dioctyl-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 14365122) has the molecular formula C55H106N10 and a molecular weight of 907.52 g/mol. Its IUPAC name is 4-N,6-N-dioctyl-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-dioctyl-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID14365122
Molecular FormulaC55H106N10
Molecular Weight907.52 g/mol
Exact Mass906.86
IUPAC Name4-N,6-N-dioctyl-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCN(c1nc(N(CCCCCCCC)C2CC(C)(C)NC(C)(C)C2)nc(N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C55H106N10/c1-19-21-23-25-27-29-31-63(41-33-48(3,4)59-49(5,6)34-41)45-56-46(64(32-30-28-26-24-22-20-2)42-35-50(7,8)60-51(9,10)36-42)58-47(57-45)65(43-37-52(11,12)61-53(13,14)38-43)44-39-54(15,16)62-55(17,18)40-44/h41-44,59-62H,19-40H2,1-18H3
InChIKeyWEJIGWVIIBFILA-UHFFFAOYSA-N
XLogP12.25
TPSA96.51 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.52
LogP ≤ 512.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-N,6-N-dioctyl-2-N,2-N,4-N,6-N-tetrakis(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 4-N,6-N-dioctyl-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-dioctyl-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 14365122) is 4-N,6-N-dioctyl-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-dioctyl-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-dioctyl-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCCCCCN(c1nc(N(CCCCCCCC)C2CC(C)(C)NC(C)(C)C2)nc(N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-N,6-N-dioctyl-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WEJIGWVIIBFILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H106N10/c1-19-21-23-25-27-29-31-63(41-33-48(3,4)59-49(5,6)34-41)45-56-46(64(32-30-28-26-24-22-20-2)42-35-50(7,8)60-51(9,10)36-42)58-47(57-45)65(43-37-52(11,12)61-53(13,14)38-43)44-39-54(15,16)62-55(17,18)40-44/h41-44,59-62H,19-40H2,1-18H3.
What are the key properties of 4-N,6-N-dioctyl-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-dioctyl-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 907.52 g/mol, XLogP of 12.25, 21 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dioctyl-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 14365122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).