5,6-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine

C15H23BN2O2 — CID 57416764

IUPAC5,6-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
SMILESCc1cc(/C=C/B2OC(C)(C)C(C)(C)O2)c(N)nc1C
InChIInChI=1S/C15H23BN2O2/c1-10-9-12(13(17)18-11(10)2)7-8-16-19-14(3,4)15(5,6)20-16/h7-9H,1-6H3,(H2,17,18)/b8-7+
InChIKeyCSLLEIKYFGSXOZ-BQYQJAHWSA-N
MW274.17 g/mol
LogP2.93
Rot. Bonds2

About 5,6-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine

5,6-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine (PubChem CID 57416764) has the molecular formula C15H23BN2O2 and a molecular weight of 274.17 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine.

Molecular Properties

Compound Name5,6-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
PubChem CID57416764
Molecular FormulaC15H23BN2O2
Molecular Weight274.17 g/mol
Exact Mass274.19
IUPAC Name5,6-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
SMILESCc1cc(/C=C/B2OC(C)(C)C(C)(C)O2)c(N)nc1C
InChIInChI=1S/C15H23BN2O2/c1-10-9-12(13(17)18-11(10)2)7-8-16-19-14(3,4)15(5,6)20-16/h7-9H,1-6H3,(H2,17,18)/b8-7+
InChIKeyCSLLEIKYFGSXOZ-BQYQJAHWSA-N
XLogP2.93
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5,6-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine?
The IUPAC name of 5,6-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine (CID 57416764) is 5,6-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine.
What is the SMILES notation for 5,6-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine?
The canonical SMILES for 5,6-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine is Cc1cc(/C=C/B2OC(C)(C)C(C)(C)O2)c(N)nc1C.
What is the InChIKey of 5,6-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine?
The InChIKey is CSLLEIKYFGSXOZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H23BN2O2/c1-10-9-12(13(17)18-11(10)2)7-8-16-19-14(3,4)15(5,6)20-16/h7-9H,1-6H3,(H2,17,18)/b8-7+.
What are the key properties of 5,6-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine?
5,6-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine has a molecular weight of 274.17 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine is sourced from PubChem (CID 57416764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).