3-triethoxysilyl-N-[2-(2-triethoxysilylazetidin-1-yl)ethyl]propan-1-amine

C20H46N2O6Si2 — CID 59305951

IUPAC3-triethoxysilyl-N-[2-(2-triethoxysilylazetidin-1-yl)ethyl]propan-1-amine
SMILESCCO[Si](CCCNCCN1CCC1[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C20H46N2O6Si2/c1-7-23-29(24-8-2,25-9-3)19-13-15-21-16-18-22-17-14-20(22)30(26-10-4,27-11-5)28-12-6/h20-21H,7-19H2,1-6H3
InChIKeyCLMJAYVPUQSYIF-UHFFFAOYSA-N
MW466.77 g/mol
LogP2.68
Rot. Bonds20

About 3-triethoxysilyl-N-[2-(2-triethoxysilylazetidin-1-yl)ethyl]propan-1-amine

3-triethoxysilyl-N-[2-(2-triethoxysilylazetidin-1-yl)ethyl]propan-1-amine (PubChem CID 59305951) has the molecular formula C20H46N2O6Si2 and a molecular weight of 466.77 g/mol. Its IUPAC name is 3-triethoxysilyl-N-[2-(2-triethoxysilylazetidin-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-triethoxysilyl-N-[2-(2-triethoxysilylazetidin-1-yl)ethyl]propan-1-amine
PubChem CID59305951
Molecular FormulaC20H46N2O6Si2
Molecular Weight466.77 g/mol
Exact Mass466.29
IUPAC Name3-triethoxysilyl-N-[2-(2-triethoxysilylazetidin-1-yl)ethyl]propan-1-amine
SMILESCCO[Si](CCCNCCN1CCC1[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C20H46N2O6Si2/c1-7-23-29(24-8-2,25-9-3)19-13-15-21-16-18-22-17-14-20(22)30(26-10-4,27-11-5)28-12-6/h20-21H,7-19H2,1-6H3
InChIKeyCLMJAYVPUQSYIF-UHFFFAOYSA-N
XLogP2.68
TPSA70.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.77
LogP ≤ 52.68
H-Bond Donors ≤ 51
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-[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
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
N-ethyl-3-triethoxysilylpropan-1-amine;silane
CID 161213931
2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine
CID 59649171
N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 134940573
N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
CID 88688172
3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine
CID 174990503
1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine
CID 168864834
N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine
CID 169060435
N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
CID 162079222
bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate
CID 174636831

Frequently Asked Questions

What is the IUPAC name of 3-triethoxysilyl-N-[2-(2-triethoxysilylazetidin-1-yl)ethyl]propan-1-amine?
The IUPAC name of 3-triethoxysilyl-N-[2-(2-triethoxysilylazetidin-1-yl)ethyl]propan-1-amine (CID 59305951) is 3-triethoxysilyl-N-[2-(2-triethoxysilylazetidin-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-triethoxysilyl-N-[2-(2-triethoxysilylazetidin-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-triethoxysilyl-N-[2-(2-triethoxysilylazetidin-1-yl)ethyl]propan-1-amine is CCO[Si](CCCNCCN1CCC1[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 3-triethoxysilyl-N-[2-(2-triethoxysilylazetidin-1-yl)ethyl]propan-1-amine?
The InChIKey is CLMJAYVPUQSYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46N2O6Si2/c1-7-23-29(24-8-2,25-9-3)19-13-15-21-16-18-22-17-14-20(22)30(26-10-4,27-11-5)28-12-6/h20-21H,7-19H2,1-6H3.
What are the key properties of 3-triethoxysilyl-N-[2-(2-triethoxysilylazetidin-1-yl)ethyl]propan-1-amine?
3-triethoxysilyl-N-[2-(2-triethoxysilylazetidin-1-yl)ethyl]propan-1-amine has a molecular weight of 466.77 g/mol, XLogP of 2.68, 20 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilyl-N-[2-(2-triethoxysilylazetidin-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 59305951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).