N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine

C20H50N2O6Si2 — CID 88688172

IUPACN-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
SMILESCCNCCC[Si](OCC)(OCC)OCC.CCO[Si](CCCN)(OCC)OCC
InChIInChI=1S/C11H27NO3Si.C9H23NO3Si/c1-5-12-10-9-11-16(13-6-2,14-7-3)15-8-4;1-4-11-14(12-5-2,13-6-3)9-7-8-10/h12H,5-11H2,1-4H3;4-10H2,1-3H3
InChIKeyPNHMKFCGLVNTJL-UHFFFAOYSA-N
MW470.80 g/mol
LogP3.42
Rot. Bonds20

About N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine

N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine (PubChem CID 88688172) has the molecular formula C20H50N2O6Si2 and a molecular weight of 470.80 g/mol. Its IUPAC name is N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
PubChem CID88688172
Molecular FormulaC20H50N2O6Si2
Molecular Weight470.80 g/mol
Exact Mass470.32
IUPAC NameN-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
SMILESCCNCCC[Si](OCC)(OCC)OCC.CCO[Si](CCCN)(OCC)OCC
InChIInChI=1S/C11H27NO3Si.C9H23NO3Si/c1-5-12-10-9-11-16(13-6-2,14-7-3)15-8-4;1-4-11-14(12-5-2,13-6-3)9-7-8-10/h12H,5-11H2,1-4H3;4-10H2,1-3H3
InChIKeyPNHMKFCGLVNTJL-UHFFFAOYSA-N
XLogP3.42
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.80
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-triethoxysilylpropan-1-amine;silane
CID 161213931
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
3-[1-aminoethoxy(diethoxy)silyl]-N-ethylpropan-1-amine
CID 87523892
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine
CID 143956342
3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
CID 88634615
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine
CID 169060435
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
sulfuric acid;3-triethoxysilylpropan-1-amine
CID 172732865
1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine
CID 168864834

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine?
The IUPAC name of N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine (CID 88688172) is N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine?
The canonical SMILES for N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine is CCNCCC[Si](OCC)(OCC)OCC.CCO[Si](CCCN)(OCC)OCC.
What is the InChIKey of N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine?
The InChIKey is PNHMKFCGLVNTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NO3Si.C9H23NO3Si/c1-5-12-10-9-11-16(13-6-2,14-7-3)15-8-4;1-4-11-14(12-5-2,13-6-3)9-7-8-10/h12H,5-11H2,1-4H3;4-10H2,1-3H3.
What are the key properties of N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine?
N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine has a molecular weight of 470.80 g/mol, XLogP of 3.42, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 88688172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).