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

C19H49N3O7Si3 — CID 143956342

IUPAC3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine
SMILESCCO[Si](CCCN)(OCC)O[Si](CCCN)(OCC)O[Si](CCCN)(OCC)OCC
InChIInChI=1S/C19H49N3O7Si3/c1-6-23-30(24-7-2,17-11-14-20)28-32(27-10-5,19-13-16-22)29-31(25-8-3,26-9-4)18-12-15-21/h6-22H2,1-5H3
InChIKeyJTEKJPJLCJKVCG-UHFFFAOYSA-N
MW515.87 g/mol
LogP2.07
Rot. Bonds23

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

3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine (PubChem CID 143956342) has the molecular formula C19H49N3O7Si3 and a molecular weight of 515.87 g/mol. Its IUPAC name is 3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine.

Molecular Properties

Compound Name3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine
PubChem CID143956342
Molecular FormulaC19H49N3O7Si3
Molecular Weight515.87 g/mol
Exact Mass515.29
IUPAC Name3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine
SMILESCCO[Si](CCCN)(OCC)O[Si](CCCN)(OCC)O[Si](CCCN)(OCC)OCC
InChIInChI=1S/C19H49N3O7Si3/c1-6-23-30(24-7-2,17-11-14-20)28-32(27-10-5,19-13-16-22)29-31(25-8-3,26-9-4)18-12-15-21/h6-22H2,1-5H3
InChIKeyJTEKJPJLCJKVCG-UHFFFAOYSA-N
XLogP2.07
TPSA142.67 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.87
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propylazanium
CID 164754127
[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-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine?
The IUPAC name of 3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine (CID 143956342) is 3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine.
What is the SMILES notation for 3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine?
The canonical SMILES for 3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine is CCO[Si](CCCN)(OCC)O[Si](CCCN)(OCC)O[Si](CCCN)(OCC)OCC.
What is the InChIKey of 3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine?
The InChIKey is JTEKJPJLCJKVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H49N3O7Si3/c1-6-23-30(24-7-2,17-11-14-20)28-32(27-10-5,19-13-16-22)29-31(25-8-3,26-9-4)18-12-15-21/h6-22H2,1-5H3.
What are the key properties of 3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine?
3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine has a molecular weight of 515.87 g/mol, XLogP of 2.07, 23 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine is sourced from PubChem (CID 143956342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).