5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine

C12H19BN2O2 — CID 149161821

IUPAC5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine
SMILESCC1(C)COB(c2ccc(N)nc2)OC1(C)C
InChIInChI=1S/C12H19BN2O2/c1-11(2)8-16-13(17-12(11,3)4)9-5-6-10(14)15-7-9/h5-7H,8H2,1-4H3,(H2,14,15)
InChIKeyVAIIMECHOPAPSL-UHFFFAOYSA-N
MW234.11 g/mol
LogP1.21
Rot. Bonds1

About 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine (PubChem CID 149161821) has the molecular formula C12H19BN2O2 and a molecular weight of 234.11 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine
PubChem CID149161821
Molecular FormulaC12H19BN2O2
Molecular Weight234.11 g/mol
Exact Mass234.15
IUPAC Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine
SMILESCC1(C)COB(c2ccc(N)nc2)OC1(C)C
InChIInChI=1S/C12H19BN2O2/c1-11(2)8-16-13(17-12(11,3)4)9-5-6-10(14)15-7-9/h5-7H,8H2,1-4H3,(H2,14,15)
InChIKeyVAIIMECHOPAPSL-UHFFFAOYSA-N
XLogP1.21
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.11
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)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

Related Compounds

N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine
CID 151093134
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)-2,3-dihydroinden-1-one
CID 151501634
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)phenyl]isoquinoline
CID 150038387
2-(1-benzothiophen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane
CID 150289104
5-chloropyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CID 174049296
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)-1,2-oxazole
CID 164884579
2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 44755191
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 53216772
3,6-diethyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)phenyl]carbazole
CID 174759521
2-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)-2-pyridinyl]acetamide
CID 175277581
4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)-3-pyridinyl]methyl]morpholine
CID 143915957
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 142321910

Frequently Asked Questions

What is the IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine (CID 149161821) is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine is CC1(C)COB(c2ccc(N)nc2)OC1(C)C.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine?
The InChIKey is VAIIMECHOPAPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BN2O2/c1-11(2)8-16-13(17-12(11,3)4)9-5-6-10(14)15-7-9/h5-7H,8H2,1-4H3,(H2,14,15).
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine?
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine has a molecular weight of 234.11 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine is sourced from PubChem (CID 149161821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).