3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propylazanium

C14H37N2O5Si2+ — CID 164754127

IUPAC3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propylazanium
SMILESCCO[Si](CCCN)(OCC)O[Si](CCC[NH3+])(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/p+1
InChIKeyQFZXKNJGYJCGPP-UHFFFAOYSA-O
MW369.63 g/mol
LogP1.01
Rot. Bonds16

About 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propylazanium

3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propylazanium (PubChem CID 164754127) has the molecular formula C14H37N2O5Si2+ and a molecular weight of 369.63 g/mol. Its IUPAC name is 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propylazanium.

Molecular Properties

Compound Name3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propylazanium
PubChem CID164754127
Molecular FormulaC14H37N2O5Si2+
Molecular Weight369.63 g/mol
Exact Mass369.22
IUPAC Name3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propylazanium
SMILESCCO[Si](CCCN)(OCC)O[Si](CCC[NH3+])(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/p+1
InChIKeyQFZXKNJGYJCGPP-UHFFFAOYSA-O
XLogP1.01
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.63
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine
CID 143956342
[3-aminopropyl(diethoxy)silyl] triethyl silicate
CID 22065708
3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine
CID 159243688
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
CID 88688172
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine
CID 58773749
sulfuric acid;3-triethoxysilylpropan-1-amine
CID 172732865
3-(3-aminopropyl-ethoxy-methylsilyl)propan-1-amine
CID 87400628
3-(3-triethoxysilylpropoxy)propan-1-amine
CID 54154158
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
ethyl carbamate;3-triethoxysilylpropan-1-amine
CID 90205560

Frequently Asked Questions

What is the IUPAC name of 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propylazanium?
The IUPAC name of 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propylazanium (CID 164754127) is 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propylazanium.
What is the SMILES notation for 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propylazanium?
The canonical SMILES for 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propylazanium is CCO[Si](CCCN)(OCC)O[Si](CCC[NH3+])(OCC)OCC.
What is the InChIKey of 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propylazanium?
The InChIKey is QFZXKNJGYJCGPP-UHFFFAOYSA-O. 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/p+1.
What are the key properties of 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propylazanium?
3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propylazanium has a molecular weight of 369.63 g/mol, XLogP of 1.01, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propylazanium is sourced from PubChem (CID 164754127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).