2-N-ethyl-2-N-octyl-6-propan-2-yloxy-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine

C23H47N5O4Si — CID 155644145

IUPAC2-N-ethyl-2-N-octyl-6-propan-2-yloxy-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCN(CC)c1nc(NC[Si](OCC)(OCC)OCC)nc(OC(C)C)n1
InChIInChI=1S/C23H47N5O4Si/c1-8-13-14-15-16-17-18-28(9-2)22-25-21(26-23(27-22)32-20(6)7)24-19-33(29-10-3,30-11-4)31-12-5/h20H,8-19H2,1-7H3,(H,24,25,26,27)
InChIKeyTZXNFYXOEOJGPI-UHFFFAOYSA-N
MW485.75 g/mol
LogP4.85
Rot. Bonds20

About 2-N-ethyl-2-N-octyl-6-propan-2-yloxy-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine

2-N-ethyl-2-N-octyl-6-propan-2-yloxy-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 155644145) has the molecular formula C23H47N5O4Si and a molecular weight of 485.75 g/mol. Its IUPAC name is 2-N-ethyl-2-N-octyl-6-propan-2-yloxy-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-octyl-6-propan-2-yloxy-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID155644145
Molecular FormulaC23H47N5O4Si
Molecular Weight485.75 g/mol
Exact Mass485.34
IUPAC Name2-N-ethyl-2-N-octyl-6-propan-2-yloxy-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCN(CC)c1nc(NC[Si](OCC)(OCC)OCC)nc(OC(C)C)n1
InChIInChI=1S/C23H47N5O4Si/c1-8-13-14-15-16-17-18-28(9-2)22-25-21(26-23(27-22)32-20(6)7)24-19-33(29-10-3,30-11-4)31-12-5/h20H,8-19H2,1-7H3,(H,24,25,26,27)
InChIKeyTZXNFYXOEOJGPI-UHFFFAOYSA-N
XLogP4.85
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.75
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 2-N-ethyl-2-N-octyl-6-propan-2-yloxy-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-2-N-octyl-6-propan-2-yloxy-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine (CID 155644145) is 2-N-ethyl-2-N-octyl-6-propan-2-yloxy-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-octyl-6-propan-2-yloxy-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-2-N-octyl-6-propan-2-yloxy-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine is CCCCCCCCN(CC)c1nc(NC[Si](OCC)(OCC)OCC)nc(OC(C)C)n1.
What is the InChIKey of 2-N-ethyl-2-N-octyl-6-propan-2-yloxy-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is TZXNFYXOEOJGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N5O4Si/c1-8-13-14-15-16-17-18-28(9-2)22-25-21(26-23(27-22)32-20(6)7)24-19-33(29-10-3,30-11-4)31-12-5/h20H,8-19H2,1-7H3,(H,24,25,26,27).
What are the key properties of 2-N-ethyl-2-N-octyl-6-propan-2-yloxy-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine?
2-N-ethyl-2-N-octyl-6-propan-2-yloxy-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 485.75 g/mol, XLogP of 4.85, 20 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-octyl-6-propan-2-yloxy-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 155644145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).