5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methylpyridin-2-amine

C11H15BN2O2 — CID 89018622

IUPAC5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methylpyridin-2-amine
SMILESC=C1OB(c2ccc(N)nc2C)OC1(C)C
InChIInChI=1S/C11H15BN2O2/c1-7-9(5-6-10(13)14-7)12-15-8(2)11(3,4)16-12/h5-6H,2H2,1,3-4H3,(H2,13,14)
InChIKeyFFBHKKJCKSTUMX-UHFFFAOYSA-N
MW218.06 g/mol
LogP1.01
Rot. Bonds1

About 5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methylpyridin-2-amine

5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methylpyridin-2-amine (PubChem CID 89018622) has the molecular formula C11H15BN2O2 and a molecular weight of 218.06 g/mol. Its IUPAC name is 5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methylpyridin-2-amine
PubChem CID89018622
Molecular FormulaC11H15BN2O2
Molecular Weight218.06 g/mol
Exact Mass218.12
IUPAC Name5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methylpyridin-2-amine
SMILESC=C1OB(c2ccc(N)nc2C)OC1(C)C
InChIInChI=1S/C11H15BN2O2/c1-7-9(5-6-10(13)14-7)12-15-8(2)11(3,4)16-12/h5-6H,2H2,1,3-4H3,(H2,13,14)
InChIKeyFFBHKKJCKSTUMX-UHFFFAOYSA-N
XLogP1.01
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.06
LogP ≤ 51.01
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

2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-5-methylaniline
CID 66806019
2-[4-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane
CID 89097531
5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-N-ethyl-4-methoxypyrimidin-2-amine
CID 70214724
2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-7-methyl-1H-indole
CID 67576470
2-[8-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)chrysen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 88553179
4-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-N,N-bis(4-methylphenyl)aniline
CID 88986134
2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methoxypyrazine
CID 89216792
4-[3-[4-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3-methoxyphenyl]pentan-3-yl]-2-methylphenol
CID 89188457
7-bromo-2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 67576474
methyl 6-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
CID 75486453
3-[3-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 70670361
3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-methoxy-9-methylcarbazole
CID 89233230

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methylpyridin-2-amine?
The IUPAC name of 5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methylpyridin-2-amine (CID 89018622) is 5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methylpyridin-2-amine.
What is the SMILES notation for 5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methylpyridin-2-amine?
The canonical SMILES for 5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methylpyridin-2-amine is C=C1OB(c2ccc(N)nc2C)OC1(C)C.
What is the InChIKey of 5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methylpyridin-2-amine?
The InChIKey is FFBHKKJCKSTUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BN2O2/c1-7-9(5-6-10(13)14-7)12-15-8(2)11(3,4)16-12/h5-6H,2H2,1,3-4H3,(H2,13,14).
What are the key properties of 5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methylpyridin-2-amine?
5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methylpyridin-2-amine has a molecular weight of 218.06 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methylpyridin-2-amine is sourced from PubChem (CID 89018622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).