ethane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C13H23BN2O2 — CID 143922704

IUPACethane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC.CC1(C)OB(c2ccnc(N)c2)OC1(C)C
InChIInChI=1S/C11H17BN2O2.C2H6/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;1-2/h5-7H,1-4H3,(H2,13,14);1-2H3
InChIKeyFOUHHIVWFMYSKO-UHFFFAOYSA-N
MW250.15 g/mol
LogP1.99
Rot. Bonds1

About ethane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

ethane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 143922704) has the molecular formula C13H23BN2O2 and a molecular weight of 250.15 g/mol. Its IUPAC name is ethane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Nameethane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID143922704
Molecular FormulaC13H23BN2O2
Molecular Weight250.15 g/mol
Exact Mass250.19
IUPAC Nameethane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC.CC1(C)OB(c2ccnc(N)c2)OC1(C)C
InChIInChI=1S/C11H17BN2O2.C2H6/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;1-2/h5-7H,1-4H3,(H2,13,14);1-2H3
InChIKeyFOUHHIVWFMYSKO-UHFFFAOYSA-N
XLogP1.99
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.15
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine with MolForge

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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 ethane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of ethane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 143922704) is ethane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for ethane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for ethane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC.CC1(C)OB(c2ccnc(N)c2)OC1(C)C.
What is the InChIKey of ethane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is FOUHHIVWFMYSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BN2O2.C2H6/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;1-2/h5-7H,1-4H3,(H2,13,14);1-2H3.
What are the key properties of ethane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
ethane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 250.15 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 143922704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).