3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine

C19H44N2O5Si2 — CID 174990503

IUPAC3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine
SMILESCCO[Si](CCCNCCCN1CCC[Si]1(OCC)OCC)(OCC)OCC
InChIInChI=1S/C19H44N2O5Si2/c1-6-22-27(23-7-2)18-13-17-21(27)16-11-14-20-15-12-19-28(24-8-3,25-9-4)26-10-5/h20H,6-19H2,1-5H3
InChIKeyPYWXHBZRXBUVJK-UHFFFAOYSA-N
MW436.74 g/mol
LogP3.12
Rot. Bonds18

About 3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine

3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine (PubChem CID 174990503) has the molecular formula C19H44N2O5Si2 and a molecular weight of 436.74 g/mol. Its IUPAC name is 3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine
PubChem CID174990503
Molecular FormulaC19H44N2O5Si2
Molecular Weight436.74 g/mol
Exact Mass436.28
IUPAC Name3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine
SMILESCCO[Si](CCCNCCCN1CCC[Si]1(OCC)OCC)(OCC)OCC
InChIInChI=1S/C19H44N2O5Si2/c1-6-22-27(23-7-2)18-13-17-21(27)16-11-14-20-15-12-19-28(24-8-3,25-9-4)26-10-5/h20H,6-19H2,1-5H3
InChIKeyPYWXHBZRXBUVJK-UHFFFAOYSA-N
XLogP3.12
TPSA61.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.74
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

6-(2,2-diethoxyazasilolidin-1-yl)hexyl-diethoxy-methylsilane
CID 175874155
3-triethoxysilylpropyl 4-(2,2-diethoxyazasilolidin-1-yl)-3-methylbutanoate
CID 175411270
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
N-ethyl-3-triethoxysilylpropan-1-amine;silane
CID 161213931
3-triethoxysilyl-N-[2-(2-triethoxysilylazetidin-1-yl)ethyl]propan-1-amine
CID 59305951
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
CID 88688172
3-(2,2-dimethoxyazasilolidin-1-yl)-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine
CID 162724360
5,5-dimethyl-3-[2-(3-triethoxysilylpropylamino)ethyl]imidazolidine-2,4-dione
CID 69250773
1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine
CID 168864834
N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
CID 162079222

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine?
The IUPAC name of 3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine (CID 174990503) is 3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine.
What is the SMILES notation for 3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine?
The canonical SMILES for 3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine is CCO[Si](CCCNCCCN1CCC[Si]1(OCC)OCC)(OCC)OCC.
What is the InChIKey of 3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine?
The InChIKey is PYWXHBZRXBUVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44N2O5Si2/c1-6-22-27(23-7-2)18-13-17-21(27)16-11-14-20-15-12-19-28(24-8-3,25-9-4)26-10-5/h20H,6-19H2,1-5H3.
What are the key properties of 3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine?
3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine has a molecular weight of 436.74 g/mol, XLogP of 3.12, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine is sourced from PubChem (CID 174990503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).