4-octoxy-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine

C20H40N4O4Si — CID 175220814

IUPAC4-octoxy-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
SMILESCCCCCCCCOc1nc(N)nc(CCC[Si](OCC)(OCC)OCC)n1
InChIInChI=1S/C20H40N4O4Si/c1-5-9-10-11-12-13-16-25-20-23-18(22-19(21)24-20)15-14-17-29(26-6-2,27-7-3)28-8-4/h5-17H2,1-4H3,(H2,21,22,23,24)
InChIKeyNSVVMISBDLHDGF-UHFFFAOYSA-N
MW428.65 g/mol
LogP4.17
Rot. Bonds18

About 4-octoxy-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine

4-octoxy-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine (PubChem CID 175220814) has the molecular formula C20H40N4O4Si and a molecular weight of 428.65 g/mol. Its IUPAC name is 4-octoxy-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-octoxy-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
PubChem CID175220814
Molecular FormulaC20H40N4O4Si
Molecular Weight428.65 g/mol
Exact Mass428.28
IUPAC Name4-octoxy-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
SMILESCCCCCCCCOc1nc(N)nc(CCC[Si](OCC)(OCC)OCC)n1
InChIInChI=1S/C20H40N4O4Si/c1-5-9-10-11-12-13-16-25-20-23-18(22-19(21)24-20)15-14-17-29(26-6-2,27-7-3)28-8-4/h5-17H2,1-4H3,(H2,21,22,23,24)
InChIKeyNSVVMISBDLHDGF-UHFFFAOYSA-N
XLogP4.17
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.65
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-octoxy-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-octoxy-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine (CID 175220814) is 4-octoxy-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-octoxy-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-octoxy-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine is CCCCCCCCOc1nc(N)nc(CCC[Si](OCC)(OCC)OCC)n1.
What is the InChIKey of 4-octoxy-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is NSVVMISBDLHDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O4Si/c1-5-9-10-11-12-13-16-25-20-23-18(22-19(21)24-20)15-14-17-29(26-6-2,27-7-3)28-8-4/h5-17H2,1-4H3,(H2,21,22,23,24).
What are the key properties of 4-octoxy-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
4-octoxy-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 428.65 g/mol, XLogP of 4.17, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octoxy-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 175220814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).