N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine

C21H44N4O6Si2 — CID 141319390

IUPACN,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine
SMILESCCO[Si](OCC)(OCC)C(CC)N(c1ncncn1)C(CC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C21H44N4O6Si2/c1-9-19(32(26-11-3,27-12-4)28-13-5)25(21-23-17-22-18-24-21)20(10-2)33(29-14-6,30-15-7)31-16-8/h17-20H,9-16H2,1-8H3
InChIKeyMDFCOMYJTITRQP-UHFFFAOYSA-N
MW504.78 g/mol
LogP3.41
Rot. Bonds19

About N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine

N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine (PubChem CID 141319390) has the molecular formula C21H44N4O6Si2 and a molecular weight of 504.78 g/mol. Its IUPAC name is N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine
PubChem CID141319390
Molecular FormulaC21H44N4O6Si2
Molecular Weight504.78 g/mol
Exact Mass504.28
IUPAC NameN,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine
SMILESCCO[Si](OCC)(OCC)C(CC)N(c1ncncn1)C(CC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C21H44N4O6Si2/c1-9-19(32(26-11-3,27-12-4)28-13-5)25(21-23-17-22-18-24-21)20(10-2)33(29-14-6,30-15-7)31-16-8/h17-20H,9-16H2,1-8H3
InChIKeyMDFCOMYJTITRQP-UHFFFAOYSA-N
XLogP3.41
TPSA97.29 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.78
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine (CID 141319390) is N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine is CCO[Si](OCC)(OCC)C(CC)N(c1ncncn1)C(CC)[Si](OCC)(OCC)OCC.
What is the InChIKey of N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is MDFCOMYJTITRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N4O6Si2/c1-9-19(32(26-11-3,27-12-4)28-13-5)25(21-23-17-22-18-24-21)20(10-2)33(29-14-6,30-15-7)31-16-8/h17-20H,9-16H2,1-8H3.
What are the key properties of N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 504.78 g/mol, XLogP of 3.41, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 141319390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).