N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine

C19H50N4O5Si2 — CID 162079222

IUPACN'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
SMILESCCO[Si](CCCNCCN)(OCC)OCC.COC(OC)[SiH2]CCCNCCN
InChIInChI=1S/C11H28N2O3Si.C8H22N2O2Si/c1-4-14-17(15-5-2,16-6-3)11-7-9-13-10-8-12;1-11-8(12-2)13-7-3-5-10-6-4-9/h13H,4-12H2,1-3H3;8,10H,3-7,9,13H2,1-2H3
InChIKeyZCCOUYHXWXDLCP-UHFFFAOYSA-N
MW470.80 g/mol
LogP0.06
Rot. Bonds21

About N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine

N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine (PubChem CID 162079222) has the molecular formula C19H50N4O5Si2 and a molecular weight of 470.80 g/mol. Its IUPAC name is N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
PubChem CID162079222
Molecular FormulaC19H50N4O5Si2
Molecular Weight470.80 g/mol
Exact Mass470.33
IUPAC NameN'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
SMILESCCO[Si](CCCNCCN)(OCC)OCC.COC(OC)[SiH2]CCCNCCN
InChIInChI=1S/C11H28N2O3Si.C8H22N2O2Si/c1-4-14-17(15-5-2,16-6-3)11-7-9-13-10-8-12;1-11-8(12-2)13-7-3-5-10-6-4-9/h13H,4-12H2,1-3H3;8,10H,3-7,9,13H2,1-2H3
InChIKeyZCCOUYHXWXDLCP-UHFFFAOYSA-N
XLogP0.06
TPSA122.25 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.80
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
N'-[2-(dimethoxymethylsilyl)ethyl]ethane-1,2-diamine
CID 3017669
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
3-(dimethoxymethylsilyl)propane-1-thiol;4-triethoxysilylbutan-1-ol
CID 172805791
N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine
CID 169060435
N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
CID 88688172
1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
CID 173380907
N-ethyl-3-triethoxysilylpropan-1-amine;silane
CID 161213931
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine
CID 168864834
2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine
CID 59649171

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine (CID 162079222) is N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine is CCO[Si](CCCNCCN)(OCC)OCC.COC(OC)[SiH2]CCCNCCN.
What is the InChIKey of N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine?
The InChIKey is ZCCOUYHXWXDLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N2O3Si.C8H22N2O2Si/c1-4-14-17(15-5-2,16-6-3)11-7-9-13-10-8-12;1-11-8(12-2)13-7-3-5-10-6-4-9/h13H,4-12H2,1-3H3;8,10H,3-7,9,13H2,1-2H3.
What are the key properties of N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine?
N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine has a molecular weight of 470.80 g/mol, XLogP of 0.06, 21 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 162079222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).