1-triethoxysilyl-N-(1-triethoxysilylpropyl)propan-1-amine

C18H43NO6Si2 — CID 22051854

IUPAC1-triethoxysilyl-N-(1-triethoxysilylpropyl)propan-1-amine
SMILESCCO[Si](OCC)(OCC)C(CC)NC(CC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H43NO6Si2/c1-9-17(26(20-11-3,21-12-4)22-13-5)19-18(10-2)27(23-14-6,24-15-7)25-16-8/h17-19H,9-16H2,1-8H3
InChIKeyOUESQCNQPJGGHJ-UHFFFAOYSA-N
MW425.72 g/mol
LogP3.31
Rot. Bonds18

About 1-triethoxysilyl-N-(1-triethoxysilylpropyl)propan-1-amine

1-triethoxysilyl-N-(1-triethoxysilylpropyl)propan-1-amine (PubChem CID 22051854) has the molecular formula C18H43NO6Si2 and a molecular weight of 425.72 g/mol. Its IUPAC name is 1-triethoxysilyl-N-(1-triethoxysilylpropyl)propan-1-amine.

Molecular Properties

Compound Name1-triethoxysilyl-N-(1-triethoxysilylpropyl)propan-1-amine
PubChem CID22051854
Molecular FormulaC18H43NO6Si2
Molecular Weight425.72 g/mol
Exact Mass425.26
IUPAC Name1-triethoxysilyl-N-(1-triethoxysilylpropyl)propan-1-amine
SMILESCCO[Si](OCC)(OCC)C(CC)NC(CC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H43NO6Si2/c1-9-17(26(20-11-3,21-12-4)22-13-5)19-18(10-2)27(23-14-6,24-15-7)25-16-8/h17-19H,9-16H2,1-8H3
InChIKeyOUESQCNQPJGGHJ-UHFFFAOYSA-N
XLogP3.31
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.72
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 1-triethoxysilyl-N-(1-triethoxysilylpropyl)propan-1-amine?
The IUPAC name of 1-triethoxysilyl-N-(1-triethoxysilylpropyl)propan-1-amine (CID 22051854) is 1-triethoxysilyl-N-(1-triethoxysilylpropyl)propan-1-amine.
What is the SMILES notation for 1-triethoxysilyl-N-(1-triethoxysilylpropyl)propan-1-amine?
The canonical SMILES for 1-triethoxysilyl-N-(1-triethoxysilylpropyl)propan-1-amine is CCO[Si](OCC)(OCC)C(CC)NC(CC)[Si](OCC)(OCC)OCC.
What is the InChIKey of 1-triethoxysilyl-N-(1-triethoxysilylpropyl)propan-1-amine?
The InChIKey is OUESQCNQPJGGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H43NO6Si2/c1-9-17(26(20-11-3,21-12-4)22-13-5)19-18(10-2)27(23-14-6,24-15-7)25-16-8/h17-19H,9-16H2,1-8H3.
What are the key properties of 1-triethoxysilyl-N-(1-triethoxysilylpropyl)propan-1-amine?
1-triethoxysilyl-N-(1-triethoxysilylpropyl)propan-1-amine has a molecular weight of 425.72 g/mol, XLogP of 3.31, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethoxysilyl-N-(1-triethoxysilylpropyl)propan-1-amine is sourced from PubChem (CID 22051854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).