2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine

C60H120N6O9 — CID 58841533

IUPAC2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCCCCCOCCOCCOCCCNc1nc(NCCCOCCOCCOCCCCCCCCCCCC)nc(NCCCOCCOCCOCCCCCCCCCCCC)n1
InChIInChI=1S/C60H120N6O9/c1-4-7-10-13-16-19-22-25-28-31-40-67-46-52-73-55-49-70-43-34-37-61-58-64-59(62-38-35-44-71-50-56-74-53-47-68-41-32-29-26-23-20-17-14-11-8-5-2)66-60(65-58)63-39-36-45-72-51-57-75-54-48-69-42-33-30-27-24-21-18-15-12-9-6-3/h4-57H2,1-3H3,(H3,61,62,63,64,65,66)
InChIKeyFELNPQIXLSHEOJ-UHFFFAOYSA-N
MW1069.65 g/mol
LogP14.19
Rot. Bonds66

About 2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 58841533) has the molecular formula C60H120N6O9 and a molecular weight of 1069.65 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID58841533
Molecular FormulaC60H120N6O9
Molecular Weight1069.65 g/mol
Exact Mass1068.91
IUPAC Name2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCCCCCOCCOCCOCCCNc1nc(NCCCOCCOCCOCCCCCCCCCCCC)nc(NCCCOCCOCCOCCCCCCCCCCCC)n1
InChIInChI=1S/C60H120N6O9/c1-4-7-10-13-16-19-22-25-28-31-40-67-46-52-73-55-49-70-43-34-37-61-58-64-59(62-38-35-44-71-50-56-74-53-47-68-41-32-29-26-23-20-17-14-11-8-5-2)66-60(65-58)63-39-36-45-72-51-57-75-54-48-69-42-33-30-27-24-21-18-15-12-9-6-3/h4-57H2,1-3H3,(H3,61,62,63,64,65,66)
InChIKeyFELNPQIXLSHEOJ-UHFFFAOYSA-N
XLogP14.19
TPSA157.83 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds66
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001069.65
LogP ≤ 514.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine (CID 58841533) is 2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine is CCCCCCCCCCCCOCCOCCOCCCNc1nc(NCCCOCCOCCOCCCCCCCCCCCC)nc(NCCCOCCOCCOCCCCCCCCCCCC)n1.
What is the InChIKey of 2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FELNPQIXLSHEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H120N6O9/c1-4-7-10-13-16-19-22-25-28-31-40-67-46-52-73-55-49-70-43-34-37-61-58-64-59(62-38-35-44-71-50-56-74-53-47-68-41-32-29-26-23-20-17-14-11-8-5-2)66-60(65-58)63-39-36-45-72-51-57-75-54-48-69-42-33-30-27-24-21-18-15-12-9-6-3/h4-57H2,1-3H3,(H3,61,62,63,64,65,66).
What are the key properties of 2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1069.65 g/mol, XLogP of 14.19, 66 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 58841533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).