1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethane-1,2-diimine

C8H15BN2O2 — CID 123544225

IUPAC1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethane-1,2-diimine
SMILES[H]/N=C(\C=N\[H])B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C8H15BN2O2/c1-7(2)8(3,4)13-9(12-7)6(11)5-10/h5,10-11H,1-4H3/b10-5+,11-6+
InChIKeyKKRGQFODFVJZOP-YOYBCKCWSA-N
MW182.03 g/mol
LogP1.29
Rot. Bonds2

About 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethane-1,2-diimine

1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethane-1,2-diimine (PubChem CID 123544225) has the molecular formula C8H15BN2O2 and a molecular weight of 182.03 g/mol. Its IUPAC name is 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethane-1,2-diimine.

Molecular Properties

Compound Name1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethane-1,2-diimine
PubChem CID123544225
Molecular FormulaC8H15BN2O2
Molecular Weight182.03 g/mol
Exact Mass182.12
IUPAC Name1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethane-1,2-diimine
SMILES[H]/N=C(\C=N\[H])B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C8H15BN2O2/c1-7(2)8(3,4)13-9(12-7)6(11)5-10/h5,10-11H,1-4H3/b10-5+,11-6+
InChIKeyKKRGQFODFVJZOP-YOYBCKCWSA-N
XLogP1.29
TPSA66.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.03
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethane-1,2-diimine 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

(Z)-3-imino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine
CID 142517083
(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine
CID 88602147
(Z)-1,1-difluoro-4-imino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-amine
CID 164572479
4-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-1-imine
CID 153334289
[(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]azanium
CID 145365369
4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane
CID 76819365
(2Z,4Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-2,4-dienal
CID 145384665
3-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-carboximidoyl)benzaldehyde
CID 177232086
4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-carboxamide
CID 57471748
ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
CID 144582849
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-1,3,2-dioxaborolane
CID 11748396
4,4,5,5-tetramethyl-2-penta-1,3-dien-2-yl-1,3,2-dioxaborolane
CID 123806894

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethane-1,2-diimine?
The IUPAC name of 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethane-1,2-diimine (CID 123544225) is 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethane-1,2-diimine.
What is the SMILES notation for 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethane-1,2-diimine?
The canonical SMILES for 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethane-1,2-diimine is [H]/N=C(\C=N\[H])B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethane-1,2-diimine?
The InChIKey is KKRGQFODFVJZOP-YOYBCKCWSA-N. The full InChI is InChI=1S/C8H15BN2O2/c1-7(2)8(3,4)13-9(12-7)6(11)5-10/h5,10-11H,1-4H3/b10-5+,11-6+.
What are the key properties of 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethane-1,2-diimine?
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethane-1,2-diimine has a molecular weight of 182.03 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethane-1,2-diimine is sourced from PubChem (CID 123544225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).