N,N-bis(methoxymethyl)-3-triethoxysilylpropan-1-amine

C13H31NO5Si — CID 87132922

IUPACN,N-bis(methoxymethyl)-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN(COC)COC)(OCC)OCC
InChIInChI=1S/C13H31NO5Si/c1-6-17-20(18-7-2,19-8-3)11-9-10-14(12-15-4)13-16-5/h6-13H2,1-5H3
InChIKeySOECAZROVPOFNY-UHFFFAOYSA-N
MW309.48 g/mol
LogP1.93
Rot. Bonds14

About N,N-bis(methoxymethyl)-3-triethoxysilylpropan-1-amine

N,N-bis(methoxymethyl)-3-triethoxysilylpropan-1-amine (PubChem CID 87132922) has the molecular formula C13H31NO5Si and a molecular weight of 309.48 g/mol. Its IUPAC name is N,N-bis(methoxymethyl)-3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound NameN,N-bis(methoxymethyl)-3-triethoxysilylpropan-1-amine
PubChem CID87132922
Molecular FormulaC13H31NO5Si
Molecular Weight309.48 g/mol
Exact Mass309.20
IUPAC NameN,N-bis(methoxymethyl)-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN(COC)COC)(OCC)OCC
InChIInChI=1S/C13H31NO5Si/c1-6-17-20(18-7-2,19-8-3)11-9-10-14(12-15-4)13-16-5/h6-13H2,1-5H3
InChIKeySOECAZROVPOFNY-UHFFFAOYSA-N
XLogP1.93
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(methoxymethyl)-3-triethoxysilylpropan-1-amine?
The IUPAC name of N,N-bis(methoxymethyl)-3-triethoxysilylpropan-1-amine (CID 87132922) is N,N-bis(methoxymethyl)-3-triethoxysilylpropan-1-amine.
What is the SMILES notation for N,N-bis(methoxymethyl)-3-triethoxysilylpropan-1-amine?
The canonical SMILES for N,N-bis(methoxymethyl)-3-triethoxysilylpropan-1-amine is CCO[Si](CCCN(COC)COC)(OCC)OCC.
What is the InChIKey of N,N-bis(methoxymethyl)-3-triethoxysilylpropan-1-amine?
The InChIKey is SOECAZROVPOFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NO5Si/c1-6-17-20(18-7-2,19-8-3)11-9-10-14(12-15-4)13-16-5/h6-13H2,1-5H3.
What are the key properties of N,N-bis(methoxymethyl)-3-triethoxysilylpropan-1-amine?
N,N-bis(methoxymethyl)-3-triethoxysilylpropan-1-amine has a molecular weight of 309.48 g/mol, XLogP of 1.93, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(methoxymethyl)-3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 87132922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).