ethoxysilane;N'-(1-triethoxysilylpropan-2-yl)methanediamine

C12H34N2O4Si2 — CID 159811606

IUPACethoxysilane;N'-(1-triethoxysilylpropan-2-yl)methanediamine
SMILESCCO[SiH3].CCO[Si](CC(C)NCN)(OCC)OCC
InChIInChI=1S/C10H26N2O3Si.C2H8OSi/c1-5-13-16(14-6-2,15-7-3)8-10(4)12-9-11;1-2-3-4/h10,12H,5-9,11H2,1-4H3;2H2,1,4H3
InChIKeyNLCCRQORIHFNIK-UHFFFAOYSA-N
MW326.59 g/mol
LogP0.23
Rot. Bonds11

About ethoxysilane;N'-(1-triethoxysilylpropan-2-yl)methanediamine

ethoxysilane;N'-(1-triethoxysilylpropan-2-yl)methanediamine (PubChem CID 159811606) has the molecular formula C12H34N2O4Si2 and a molecular weight of 326.59 g/mol. Its IUPAC name is ethoxysilane;N'-(1-triethoxysilylpropan-2-yl)methanediamine.

Molecular Properties

Compound Nameethoxysilane;N'-(1-triethoxysilylpropan-2-yl)methanediamine
PubChem CID159811606
Molecular FormulaC12H34N2O4Si2
Molecular Weight326.59 g/mol
Exact Mass326.21
IUPAC Nameethoxysilane;N'-(1-triethoxysilylpropan-2-yl)methanediamine
SMILESCCO[SiH3].CCO[Si](CC(C)NCN)(OCC)OCC
InChIInChI=1S/C10H26N2O3Si.C2H8OSi/c1-5-13-16(14-6-2,15-7-3)8-10(4)12-9-11;1-2-3-4/h10,12H,5-9,11H2,1-4H3;2H2,1,4H3
InChIKeyNLCCRQORIHFNIK-UHFFFAOYSA-N
XLogP0.23
TPSA74.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.59
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-triethoxysilylpropan-2-amine
CID 10236113
2-N-(2-triethoxysilylethyl)propane-1,2-diamine
CID 59561197
ethoxysilane;triethoxy-[2-(oxiran-2-ylmethoxy)propyl]silane
CID 160854237
triethoxy-(3-ethyl-2-methylpentyl)silane
CID 18696416
N'-[1-[diethoxy(2-methylpropyl)silyl]oxyethyl]ethane-1,2-diamine
CID 154308383
N'-(1-trimethoxysilylpropan-2-yl)ethane-1,2-diamine
CID 22661604
(3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane
CID 91420779
3-(triethoxysilylmethyl)heptan-2-amine
CID 23048093
2-[diethoxy(2-methylpropyl)silyl]oxy-N-ethylethanamine
CID 150177866
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
argon;ethoxysilane
CID 173405078

Frequently Asked Questions

What is the IUPAC name of ethoxysilane;N'-(1-triethoxysilylpropan-2-yl)methanediamine?
The IUPAC name of ethoxysilane;N'-(1-triethoxysilylpropan-2-yl)methanediamine (CID 159811606) is ethoxysilane;N'-(1-triethoxysilylpropan-2-yl)methanediamine.
What is the SMILES notation for ethoxysilane;N'-(1-triethoxysilylpropan-2-yl)methanediamine?
The canonical SMILES for ethoxysilane;N'-(1-triethoxysilylpropan-2-yl)methanediamine is CCO[SiH3].CCO[Si](CC(C)NCN)(OCC)OCC.
What is the InChIKey of ethoxysilane;N'-(1-triethoxysilylpropan-2-yl)methanediamine?
The InChIKey is NLCCRQORIHFNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N2O3Si.C2H8OSi/c1-5-13-16(14-6-2,15-7-3)8-10(4)12-9-11;1-2-3-4/h10,12H,5-9,11H2,1-4H3;2H2,1,4H3.
What are the key properties of ethoxysilane;N'-(1-triethoxysilylpropan-2-yl)methanediamine?
ethoxysilane;N'-(1-triethoxysilylpropan-2-yl)methanediamine has a molecular weight of 326.59 g/mol, XLogP of 0.23, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxysilane;N'-(1-triethoxysilylpropan-2-yl)methanediamine is sourced from PubChem (CID 159811606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).