(Z)-N'-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethene-1,2-diamine

C15H23BN2O2 — CID 147411832

IUPAC(Z)-N'-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethene-1,2-diamine
SMILESCN/C=C(\N)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C15H23BN2O2/c1-14(2)15(3,4)20-16(19-14)12-8-6-11(7-9-12)13(17)10-18-5/h6-10,18H,17H2,1-5H3/b13-10-
InChIKeyDQTJIDDSOIXJQD-RAXLEYEMSA-N
MW274.17 g/mol
LogP1.46
Rot. Bonds3

About (Z)-N'-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethene-1,2-diamine

(Z)-N'-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethene-1,2-diamine (PubChem CID 147411832) has the molecular formula C15H23BN2O2 and a molecular weight of 274.17 g/mol. Its IUPAC name is (Z)-N'-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N'-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethene-1,2-diamine
PubChem CID147411832
Molecular FormulaC15H23BN2O2
Molecular Weight274.17 g/mol
Exact Mass274.19
IUPAC Name(Z)-N'-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethene-1,2-diamine
SMILESCN/C=C(\N)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C15H23BN2O2/c1-14(2)15(3,4)20-16(19-14)12-8-6-11(7-9-12)13(17)10-18-5/h6-10,18H,17H2,1-5H3/b13-10-
InChIKeyDQTJIDDSOIXJQD-RAXLEYEMSA-N
XLogP1.46
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-N'-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethene-1,2-diamine?
The IUPAC name of (Z)-N'-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethene-1,2-diamine (CID 147411832) is (Z)-N'-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethene-1,2-diamine.
What is the SMILES notation for (Z)-N'-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethene-1,2-diamine?
The canonical SMILES for (Z)-N'-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethene-1,2-diamine is CN/C=C(\N)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of (Z)-N'-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethene-1,2-diamine?
The InChIKey is DQTJIDDSOIXJQD-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H23BN2O2/c1-14(2)15(3,4)20-16(19-14)12-8-6-11(7-9-12)13(17)10-18-5/h6-10,18H,17H2,1-5H3/b13-10-.
What are the key properties of (Z)-N'-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethene-1,2-diamine?
(Z)-N'-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethene-1,2-diamine has a molecular weight of 274.17 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethene-1,2-diamine is sourced from PubChem (CID 147411832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).