2-N-(2-aminoethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine

C23H51N7O6Si2 — CID 140675422

IUPAC2-N-(2-aminoethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCO[Si](CCCNc1nc(NCCN)nc(NCCC[Si](OCC)(OCC)OCC)n1)(OCC)OCC
InChIInChI=1S/C23H51N7O6Si2/c1-7-31-37(32-8-2,33-9-3)19-13-16-25-21-28-22(30-23(29-21)27-18-15-24)26-17-14-20-38(34-10-4,35-11-5)36-12-6/h7-20,24H2,1-6H3,(H3,25,26,27,28,29,30)
InChIKeyMXZOUGZRQMYTOK-UHFFFAOYSA-N
MW577.88 g/mol
LogP2.94
Rot. Bonds25

About 2-N-(2-aminoethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine

2-N-(2-aminoethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 140675422) has the molecular formula C23H51N7O6Si2 and a molecular weight of 577.88 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID140675422
Molecular FormulaC23H51N7O6Si2
Molecular Weight577.88 g/mol
Exact Mass577.34
IUPAC Name2-N-(2-aminoethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCO[Si](CCCNc1nc(NCCN)nc(NCCC[Si](OCC)(OCC)OCC)n1)(OCC)OCC
InChIInChI=1S/C23H51N7O6Si2/c1-7-31-37(32-8-2,33-9-3)19-13-16-25-21-28-22(30-23(29-21)27-18-15-24)26-17-14-20-38(34-10-4,35-11-5)36-12-6/h7-20,24H2,1-6H3,(H3,25,26,27,28,29,30)
InChIKeyMXZOUGZRQMYTOK-UHFFFAOYSA-N
XLogP2.94
TPSA156.16 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.88
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

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-(2-aminoethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(2-aminoethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine (CID 140675422) is 2-N-(2-aminoethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(2-aminoethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(2-aminoethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine is CCO[Si](CCCNc1nc(NCCN)nc(NCCC[Si](OCC)(OCC)OCC)n1)(OCC)OCC.
What is the InChIKey of 2-N-(2-aminoethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MXZOUGZRQMYTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H51N7O6Si2/c1-7-31-37(32-8-2,33-9-3)19-13-16-25-21-28-22(30-23(29-21)27-18-15-24)26-17-14-20-38(34-10-4,35-11-5)36-12-6/h7-20,24H2,1-6H3,(H3,25,26,27,28,29,30).
What are the key properties of 2-N-(2-aminoethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(2-aminoethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 577.88 g/mol, XLogP of 2.94, 25 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 140675422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).