3-[diethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine

C17H44N2O5Si2 — CID 18542000

IUPAC3-[diethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine
SMILESCCO[Si](C)(CCCN)OCC.CCO[Si](CCCN)(OCC)OCC
InChIInChI=1S/C9H23NO3Si.C8H21NO2Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-4-10-12(3,11-5-2)8-6-7-9/h4-10H2,1-3H3;4-9H2,1-3H3
InChIKeyVRKUYKRJHFEZKZ-UHFFFAOYSA-N
MW412.72 g/mol
LogP2.86
Rot. Bonds16

About 3-[diethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine

3-[diethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine (PubChem CID 18542000) has the molecular formula C17H44N2O5Si2 and a molecular weight of 412.72 g/mol. Its IUPAC name is 3-[diethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound Name3-[diethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine
PubChem CID18542000
Molecular FormulaC17H44N2O5Si2
Molecular Weight412.72 g/mol
Exact Mass412.28
IUPAC Name3-[diethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine
SMILESCCO[Si](C)(CCCN)OCC.CCO[Si](CCCN)(OCC)OCC
InChIInChI=1S/C9H23NO3Si.C8H21NO2Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-4-10-12(3,11-5-2)8-6-7-9/h4-10H2,1-3H3;4-9H2,1-3H3
InChIKeyVRKUYKRJHFEZKZ-UHFFFAOYSA-N
XLogP2.86
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.72
LogP ≤ 52.86
H-Bond Donors ≤ 52
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 3-[diethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine?
The IUPAC name of 3-[diethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine (CID 18542000) is 3-[diethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine.
What is the SMILES notation for 3-[diethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine?
The canonical SMILES for 3-[diethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine is CCO[Si](C)(CCCN)OCC.CCO[Si](CCCN)(OCC)OCC.
What is the InChIKey of 3-[diethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine?
The InChIKey is VRKUYKRJHFEZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO3Si.C8H21NO2Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-4-10-12(3,11-5-2)8-6-7-9/h4-10H2,1-3H3;4-9H2,1-3H3.
What are the key properties of 3-[diethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine?
3-[diethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine has a molecular weight of 412.72 g/mol, XLogP of 2.86, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 18542000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).