4-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C11H16BN2O2+ — CID 58395892

IUPAC4-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILES[CH2+]C1(C)OB(c2ccnc(N)c2)OC1(C)C
InChIInChI=1S/C11H16BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h5-7H,1H2,2-4H3,(H2,13,14)/q+1
InChIKeyBZZRRHQMJRCYNB-UHFFFAOYSA-N
MW219.07 g/mol
LogP0.78
Rot. Bonds1

About 4-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

4-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 58395892) has the molecular formula C11H16BN2O2+ and a molecular weight of 219.07 g/mol. Its IUPAC name is 4-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID58395892
Molecular FormulaC11H16BN2O2+
Molecular Weight219.07 g/mol
Exact Mass219.13
IUPAC Name4-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILES[CH2+]C1(C)OB(c2ccnc(N)c2)OC1(C)C
InChIInChI=1S/C11H16BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h5-7H,1H2,2-4H3,(H2,13,14)/q+1
InChIKeyBZZRRHQMJRCYNB-UHFFFAOYSA-N
XLogP0.78
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-methylpyridine
CID 1533
2-Amino-5-methylpyridine
CID 15348
4-Ethylpyridin-2-amine
CID 118425
4,5-Dimethylpyridin-2-amine
CID 12404013
2-Amino-3,4-dimethylpyridine
CID 11007884
5-Ethyl-4-methyl-pyridin-2-ylamine
CID 15287360
2-Pyridinamine, 4-methyl-, hydrochloride (1:?)
CID 208631
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 2734648
2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 12067063
3-Ethyl-4-methylpyridin-2-amine
CID 9920741
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 2734656
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 2756555

Frequently Asked Questions

What is the IUPAC name of 4-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of 4-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 58395892) is 4-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for 4-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is [CH2+]C1(C)OB(c2ccnc(N)c2)OC1(C)C.
What is the InChIKey of 4-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is BZZRRHQMJRCYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h5-7H,1H2,2-4H3,(H2,13,14)/q+1.
What are the key properties of 4-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
4-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 219.07 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 58395892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).