(E)-1-(4-methoxyphenyl)-2-pyridin-2-yl-N-trimethylsilylethenamine

C17H22N2OSi — CID 135073980

IUPAC(E)-1-(4-methoxyphenyl)-2-pyridin-2-yl-N-trimethylsilylethenamine
SMILESCOc1ccc(/C(=C\c2ccccn2)N[Si](C)(C)C)cc1
InChIInChI=1S/C17H22N2OSi/c1-20-16-10-8-14(9-11-16)17(19-21(2,3)4)13-15-7-5-6-12-18-15/h5-13,19H,1-4H3/b17-13+
InChIKeyDBFOGXBUHRGNSQ-GHRIWEEISA-N
MW298.46 g/mol
LogP4.01
Rot. Bonds5

About (E)-1-(4-methoxyphenyl)-2-pyridin-2-yl-N-trimethylsilylethenamine

(E)-1-(4-methoxyphenyl)-2-pyridin-2-yl-N-trimethylsilylethenamine (PubChem CID 135073980) has the molecular formula C17H22N2OSi and a molecular weight of 298.46 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-2-pyridin-2-yl-N-trimethylsilylethenamine.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-2-pyridin-2-yl-N-trimethylsilylethenamine
PubChem CID135073980
Molecular FormulaC17H22N2OSi
Molecular Weight298.46 g/mol
Exact Mass298.15
IUPAC Name(E)-1-(4-methoxyphenyl)-2-pyridin-2-yl-N-trimethylsilylethenamine
SMILESCOc1ccc(/C(=C\c2ccccn2)N[Si](C)(C)C)cc1
InChIInChI=1S/C17H22N2OSi/c1-20-16-10-8-14(9-11-16)17(19-21(2,3)4)13-15-7-5-6-12-18-15/h5-13,19H,1-4H3/b17-13+
InChIKeyDBFOGXBUHRGNSQ-GHRIWEEISA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methoxyphenyl)-2-pyridin-2-yl-N-trimethylsilylethenamine?
The IUPAC name of (E)-1-(4-methoxyphenyl)-2-pyridin-2-yl-N-trimethylsilylethenamine (CID 135073980) is (E)-1-(4-methoxyphenyl)-2-pyridin-2-yl-N-trimethylsilylethenamine.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-2-pyridin-2-yl-N-trimethylsilylethenamine?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-2-pyridin-2-yl-N-trimethylsilylethenamine is COc1ccc(/C(=C\c2ccccn2)N[Si](C)(C)C)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-2-pyridin-2-yl-N-trimethylsilylethenamine?
The InChIKey is DBFOGXBUHRGNSQ-GHRIWEEISA-N. The full InChI is InChI=1S/C17H22N2OSi/c1-20-16-10-8-14(9-11-16)17(19-21(2,3)4)13-15-7-5-6-12-18-15/h5-13,19H,1-4H3/b17-13+.
What are the key properties of (E)-1-(4-methoxyphenyl)-2-pyridin-2-yl-N-trimethylsilylethenamine?
(E)-1-(4-methoxyphenyl)-2-pyridin-2-yl-N-trimethylsilylethenamine has a molecular weight of 298.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-2-pyridin-2-yl-N-trimethylsilylethenamine is sourced from PubChem (CID 135073980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).