1-N-ethyl-1-N'-trimethoxysilylpropane-1,1-diamine

C8H22N2O3Si — CID 87595794

IUPAC1-N-ethyl-1-N'-trimethoxysilylpropane-1,1-diamine
SMILESCCNC(CC)N[Si](OC)(OC)OC
InChIInChI=1S/C8H22N2O3Si/c1-6-8(9-7-2)10-14(11-3,12-4)13-5/h8-10H,6-7H2,1-5H3
InChIKeyOQXCODSEIGMOFR-UHFFFAOYSA-N
MW222.36 g/mol
LogP0.30
Rot. Bonds8

About 1-N-ethyl-1-N'-trimethoxysilylpropane-1,1-diamine

1-N-ethyl-1-N'-trimethoxysilylpropane-1,1-diamine (PubChem CID 87595794) has the molecular formula C8H22N2O3Si and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-N-ethyl-1-N'-trimethoxysilylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N'-trimethoxysilylpropane-1,1-diamine
PubChem CID87595794
Molecular FormulaC8H22N2O3Si
Molecular Weight222.36 g/mol
Exact Mass222.14
IUPAC Name1-N-ethyl-1-N'-trimethoxysilylpropane-1,1-diamine
SMILESCCNC(CC)N[Si](OC)(OC)OC
InChIInChI=1S/C8H22N2O3Si/c1-6-8(9-7-2)10-14(11-3,12-4)13-5/h8-10H,6-7H2,1-5H3
InChIKeyOQXCODSEIGMOFR-UHFFFAOYSA-N
XLogP0.30
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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CID 19877441
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CID 19898405
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CID 19960740
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CID 21909170
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CID 22020518
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CID 22169313
CID 22169313

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N'-trimethoxysilylpropane-1,1-diamine?
The IUPAC name of 1-N-ethyl-1-N'-trimethoxysilylpropane-1,1-diamine (CID 87595794) is 1-N-ethyl-1-N'-trimethoxysilylpropane-1,1-diamine.
What is the SMILES notation for 1-N-ethyl-1-N'-trimethoxysilylpropane-1,1-diamine?
The canonical SMILES for 1-N-ethyl-1-N'-trimethoxysilylpropane-1,1-diamine is CCNC(CC)N[Si](OC)(OC)OC.
What is the InChIKey of 1-N-ethyl-1-N'-trimethoxysilylpropane-1,1-diamine?
The InChIKey is OQXCODSEIGMOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2O3Si/c1-6-8(9-7-2)10-14(11-3,12-4)13-5/h8-10H,6-7H2,1-5H3.
What are the key properties of 1-N-ethyl-1-N'-trimethoxysilylpropane-1,1-diamine?
1-N-ethyl-1-N'-trimethoxysilylpropane-1,1-diamine has a molecular weight of 222.36 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N'-trimethoxysilylpropane-1,1-diamine is sourced from PubChem (CID 87595794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).