3-[diethoxy(phenyl)silyl]propan-1-amine;1-triethoxysilylbutan-1-amine

C23H48N2O5Si2 — CID 21428433

IUPAC3-[diethoxy(phenyl)silyl]propan-1-amine;1-triethoxysilylbutan-1-amine
SMILESCCCC(N)[Si](OCC)(OCC)OCC.CCO[Si](CCCN)(OCC)c1ccccc1
InChIInChI=1S/C13H23NO2Si.C10H25NO3Si/c1-3-15-17(16-4-2,12-8-11-14)13-9-6-5-7-10-13;1-5-9-10(11)15(12-6-2,13-7-3)14-8-4/h5-7,9-10H,3-4,8,11-12,14H2,1-2H3;10H,5-9,11H2,1-4H3
InChIKeyAOEUTPULNVFOPU-UHFFFAOYSA-N
MW488.82 g/mol
LogP3.46
Rot. Bonds17

About 3-[diethoxy(phenyl)silyl]propan-1-amine;1-triethoxysilylbutan-1-amine

3-[diethoxy(phenyl)silyl]propan-1-amine;1-triethoxysilylbutan-1-amine (PubChem CID 21428433) has the molecular formula C23H48N2O5Si2 and a molecular weight of 488.82 g/mol. Its IUPAC name is 3-[diethoxy(phenyl)silyl]propan-1-amine;1-triethoxysilylbutan-1-amine.

Molecular Properties

Compound Name3-[diethoxy(phenyl)silyl]propan-1-amine;1-triethoxysilylbutan-1-amine
PubChem CID21428433
Molecular FormulaC23H48N2O5Si2
Molecular Weight488.82 g/mol
Exact Mass488.31
IUPAC Name3-[diethoxy(phenyl)silyl]propan-1-amine;1-triethoxysilylbutan-1-amine
SMILESCCCC(N)[Si](OCC)(OCC)OCC.CCO[Si](CCCN)(OCC)c1ccccc1
InChIInChI=1S/C13H23NO2Si.C10H25NO3Si/c1-3-15-17(16-4-2,12-8-11-14)13-9-6-5-7-10-13;1-5-9-10(11)15(12-6-2,13-7-3)14-8-4/h5-7,9-10H,3-4,8,11-12,14H2,1-2H3;10H,5-9,11H2,1-4H3
InChIKeyAOEUTPULNVFOPU-UHFFFAOYSA-N
XLogP3.46
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.82
LogP ≤ 53.46
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(phenyl)silyl]propan-1-amine;1-triethoxysilylbutan-1-amine?
The IUPAC name of 3-[diethoxy(phenyl)silyl]propan-1-amine;1-triethoxysilylbutan-1-amine (CID 21428433) is 3-[diethoxy(phenyl)silyl]propan-1-amine;1-triethoxysilylbutan-1-amine.
What is the SMILES notation for 3-[diethoxy(phenyl)silyl]propan-1-amine;1-triethoxysilylbutan-1-amine?
The canonical SMILES for 3-[diethoxy(phenyl)silyl]propan-1-amine;1-triethoxysilylbutan-1-amine is CCCC(N)[Si](OCC)(OCC)OCC.CCO[Si](CCCN)(OCC)c1ccccc1.
What is the InChIKey of 3-[diethoxy(phenyl)silyl]propan-1-amine;1-triethoxysilylbutan-1-amine?
The InChIKey is AOEUTPULNVFOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2Si.C10H25NO3Si/c1-3-15-17(16-4-2,12-8-11-14)13-9-6-5-7-10-13;1-5-9-10(11)15(12-6-2,13-7-3)14-8-4/h5-7,9-10H,3-4,8,11-12,14H2,1-2H3;10H,5-9,11H2,1-4H3.
What are the key properties of 3-[diethoxy(phenyl)silyl]propan-1-amine;1-triethoxysilylbutan-1-amine?
3-[diethoxy(phenyl)silyl]propan-1-amine;1-triethoxysilylbutan-1-amine has a molecular weight of 488.82 g/mol, XLogP of 3.46, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(phenyl)silyl]propan-1-amine;1-triethoxysilylbutan-1-amine is sourced from PubChem (CID 21428433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).