1-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4-pyridinyl]ethanamine

C15H23BN2O2 — CID 74788736

IUPAC1-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4-pyridinyl]ethanamine
SMILESCC(N)c1ccnc(/C=C/B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C15H23BN2O2/c1-11(17)12-7-9-18-13(10-12)6-8-16-19-14(2,3)15(4,5)20-16/h6-11H,17H2,1-5H3/b8-6+
InChIKeyUPBMGBQIZPORLT-SOFGYWHQSA-N
MW274.17 g/mol
LogP2.75
Rot. Bonds3

About 1-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4-pyridinyl]ethanamine

1-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4-pyridinyl]ethanamine (PubChem CID 74788736) has the molecular formula C15H23BN2O2 and a molecular weight of 274.17 g/mol. Its IUPAC name is 1-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4-pyridinyl]ethanamine
PubChem CID74788736
Molecular FormulaC15H23BN2O2
Molecular Weight274.17 g/mol
Exact Mass274.19
IUPAC Name1-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4-pyridinyl]ethanamine
SMILESCC(N)c1ccnc(/C=C/B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C15H23BN2O2/c1-11(17)12-7-9-18-13(10-12)6-8-16-19-14(2,3)15(4,5)20-16/h6-11H,17H2,1-5H3/b8-6+
InChIKeyUPBMGBQIZPORLT-SOFGYWHQSA-N
XLogP2.75
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4-pyridinyl]prop-2-en-1-amine
CID 74789346
(1S)-1-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4-pyridinyl]ethane-1,2-diamine
CID 74789351
4-propyl-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 57416755
4-(methoxymethyl)-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74890692
2-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-4-amine
CID 57416568
(1R)-N-methyl-1-[6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-3-pyridinyl]ethanamine
CID 74890208
1-[6-methyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]ethanamine
CID 74788754
2-chloro-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-4-amine
CID 74788972
2,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 57416557
6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrrolo[3,2-c]pyridine
CID 57416716
4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine
CID 74788995
2-fluoro-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-amine
CID 57416685

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4-pyridinyl]ethanamine?
The IUPAC name of 1-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4-pyridinyl]ethanamine (CID 74788736) is 1-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4-pyridinyl]ethanamine.
What is the SMILES notation for 1-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4-pyridinyl]ethanamine?
The canonical SMILES for 1-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4-pyridinyl]ethanamine is CC(N)c1ccnc(/C=C/B2OC(C)(C)C(C)(C)O2)c1.
What is the InChIKey of 1-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4-pyridinyl]ethanamine?
The InChIKey is UPBMGBQIZPORLT-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H23BN2O2/c1-11(17)12-7-9-18-13(10-12)6-8-16-19-14(2,3)15(4,5)20-16/h6-11H,17H2,1-5H3/b8-6+.
What are the key properties of 1-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4-pyridinyl]ethanamine?
1-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4-pyridinyl]ethanamine has a molecular weight of 274.17 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4-pyridinyl]ethanamine is sourced from PubChem (CID 74788736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).