3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propan-1-amine

C14H36N2O5Si2 — CID 11632071

IUPAC3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propan-1-amine
SMILESCCO[Si](CCCN)(OCC)O[Si](CCCN)(OCC)OCC
InChIInChI=1S/C14H36N2O5Si2/c1-5-17-22(18-6-2,13-9-11-15)21-23(19-7-3,20-8-4)14-10-12-16/h5-16H2,1-4H3
InChIKeyQFZXKNJGYJCGPP-UHFFFAOYSA-N
MW368.62 g/mol
LogP1.72
Rot. Bonds16

About 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propan-1-amine

3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propan-1-amine (PubChem CID 11632071) has the molecular formula C14H36N2O5Si2 and a molecular weight of 368.62 g/mol. Its IUPAC name is 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propan-1-amine.

Molecular Properties

Compound Name3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propan-1-amine
PubChem CID11632071
Molecular FormulaC14H36N2O5Si2
Molecular Weight368.62 g/mol
Exact Mass368.22
IUPAC Name3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propan-1-amine
SMILESCCO[Si](CCCN)(OCC)O[Si](CCCN)(OCC)OCC
InChIInChI=1S/C14H36N2O5Si2/c1-5-17-22(18-6-2,13-9-11-15)21-23(19-7-3,20-8-4)14-10-12-16/h5-16H2,1-4H3
InChIKeyQFZXKNJGYJCGPP-UHFFFAOYSA-N
XLogP1.72
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.62
LogP ≤ 51.72
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-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propan-1-amine?
The IUPAC name of 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propan-1-amine (CID 11632071) is 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propan-1-amine.
What is the SMILES notation for 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propan-1-amine?
The canonical SMILES for 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propan-1-amine is CCO[Si](CCCN)(OCC)O[Si](CCCN)(OCC)OCC.
What is the InChIKey of 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propan-1-amine?
The InChIKey is QFZXKNJGYJCGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H36N2O5Si2/c1-5-17-22(18-6-2,13-9-11-15)21-23(19-7-3,20-8-4)14-10-12-16/h5-16H2,1-4H3.
What are the key properties of 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propan-1-amine?
3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propan-1-amine has a molecular weight of 368.62 g/mol, XLogP of 1.72, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propan-1-amine is sourced from PubChem (CID 11632071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).