4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine

C15H23BN2O3 — CID 74889592

IUPAC4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
SMILESCCOc1cc(N)ncc1/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H23BN2O3/c1-6-19-12-9-13(17)18-10-11(12)7-8-16-20-14(2,3)15(4,5)21-16/h7-10H,6H2,1-5H3,(H2,17,18)/b8-7+
InChIKeyLHNZICNYYCFWCS-BQYQJAHWSA-N
MW290.17 g/mol
LogP2.71
Rot. Bonds4

About 4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine

4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine (PubChem CID 74889592) has the molecular formula C15H23BN2O3 and a molecular weight of 290.17 g/mol. Its IUPAC name is 4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
PubChem CID74889592
Molecular FormulaC15H23BN2O3
Molecular Weight290.17 g/mol
Exact Mass290.18
IUPAC Name4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
SMILESCCOc1cc(N)ncc1/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H23BN2O3/c1-6-19-12-9-13(17)18-10-11(12)7-8-16-20-14(2,3)15(4,5)21-16/h7-10H,6H2,1-5H3,(H2,17,18)/b8-7+
InChIKeyLHNZICNYYCFWCS-BQYQJAHWSA-N
XLogP2.71
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine?
The IUPAC name of 4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine (CID 74889592) is 4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine.
What is the SMILES notation for 4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine?
The canonical SMILES for 4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine is CCOc1cc(N)ncc1/C=C/B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine?
The InChIKey is LHNZICNYYCFWCS-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H23BN2O3/c1-6-19-12-9-13(17)18-10-11(12)7-8-16-20-14(2,3)15(4,5)21-16/h7-10H,6H2,1-5H3,(H2,17,18)/b8-7+.
What are the key properties of 4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine?
4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine has a molecular weight of 290.17 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine is sourced from PubChem (CID 74889592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).