1-[(2-trimethoxysilylphenyl)methylideneamino]oxyethanamine

C12H20N2O4Si — CID 173111846

IUPAC1-[(2-trimethoxysilylphenyl)methylideneamino]oxyethanamine
SMILESCO[Si](OC)(OC)c1ccccc1C=NOC(C)N
InChIInChI=1S/C12H20N2O4Si/c1-10(13)18-14-9-11-7-5-6-8-12(11)19(15-2,16-3)17-4/h5-10H,13H2,1-4H3
InChIKeyCXKXMWXTRSGFKF-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.43
Rot. Bonds7

About 1-[(2-trimethoxysilylphenyl)methylideneamino]oxyethanamine

1-[(2-trimethoxysilylphenyl)methylideneamino]oxyethanamine (PubChem CID 173111846) has the molecular formula C12H20N2O4Si and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-[(2-trimethoxysilylphenyl)methylideneamino]oxyethanamine.

Molecular Properties

Compound Name1-[(2-trimethoxysilylphenyl)methylideneamino]oxyethanamine
PubChem CID173111846
Molecular FormulaC12H20N2O4Si
Molecular Weight284.39 g/mol
Exact Mass284.12
IUPAC Name1-[(2-trimethoxysilylphenyl)methylideneamino]oxyethanamine
SMILESCO[Si](OC)(OC)c1ccccc1C=NOC(C)N
InChIInChI=1S/C12H20N2O4Si/c1-10(13)18-14-9-11-7-5-6-8-12(11)19(15-2,16-3)17-4/h5-10H,13H2,1-4H3
InChIKeyCXKXMWXTRSGFKF-UHFFFAOYSA-N
XLogP0.43
TPSA75.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.43
H-Bond Donors ≤ 51
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'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-trimethoxysilylphenyl)methylideneamino]oxyethanamine?
The IUPAC name of 1-[(2-trimethoxysilylphenyl)methylideneamino]oxyethanamine (CID 173111846) is 1-[(2-trimethoxysilylphenyl)methylideneamino]oxyethanamine.
What is the SMILES notation for 1-[(2-trimethoxysilylphenyl)methylideneamino]oxyethanamine?
The canonical SMILES for 1-[(2-trimethoxysilylphenyl)methylideneamino]oxyethanamine is CO[Si](OC)(OC)c1ccccc1C=NOC(C)N.
What is the InChIKey of 1-[(2-trimethoxysilylphenyl)methylideneamino]oxyethanamine?
The InChIKey is CXKXMWXTRSGFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4Si/c1-10(13)18-14-9-11-7-5-6-8-12(11)19(15-2,16-3)17-4/h5-10H,13H2,1-4H3.
What are the key properties of 1-[(2-trimethoxysilylphenyl)methylideneamino]oxyethanamine?
1-[(2-trimethoxysilylphenyl)methylideneamino]oxyethanamine has a molecular weight of 284.39 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-trimethoxysilylphenyl)methylideneamino]oxyethanamine is sourced from PubChem (CID 173111846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).