N'-methyl-N-methylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarboximidamide

C15H21BN2O2 — CID 163728574

IUPACN'-methyl-N-methylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarboximidamide
SMILESC=N/C(=N\C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C15H21BN2O2/c1-14(2)15(3,4)20-16(19-14)12-9-7-8-11(10-12)13(17-5)18-6/h7-10H,5H2,1-4,6H3/b18-13-
InChIKeyKXRDOSITQGFXHN-AQTBWJFISA-N
MW272.16 g/mol
LogP2.06
Rot. Bonds2

About N'-methyl-N-methylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarboximidamide

N'-methyl-N-methylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarboximidamide (PubChem CID 163728574) has the molecular formula C15H21BN2O2 and a molecular weight of 272.16 g/mol. Its IUPAC name is N'-methyl-N-methylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-methyl-N-methylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarboximidamide
PubChem CID163728574
Molecular FormulaC15H21BN2O2
Molecular Weight272.16 g/mol
Exact Mass272.17
IUPAC NameN'-methyl-N-methylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarboximidamide
SMILESC=N/C(=N\C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C15H21BN2O2/c1-14(2)15(3,4)20-16(19-14)12-9-7-8-11(10-12)13(17-5)18-6/h7-10H,5H2,1-4,6H3/b18-13-
InChIKeyKXRDOSITQGFXHN-AQTBWJFISA-N
XLogP2.06
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-methylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarboximidamide?
The IUPAC name of N'-methyl-N-methylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarboximidamide (CID 163728574) is N'-methyl-N-methylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarboximidamide.
What is the SMILES notation for N'-methyl-N-methylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarboximidamide?
The canonical SMILES for N'-methyl-N-methylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarboximidamide is C=N/C(=N\C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1.
What is the InChIKey of N'-methyl-N-methylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarboximidamide?
The InChIKey is KXRDOSITQGFXHN-AQTBWJFISA-N. The full InChI is InChI=1S/C15H21BN2O2/c1-14(2)15(3,4)20-16(19-14)12-9-7-8-11(10-12)13(17-5)18-6/h7-10H,5H2,1-4,6H3/b18-13-.
What are the key properties of N'-methyl-N-methylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarboximidamide?
N'-methyl-N-methylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarboximidamide has a molecular weight of 272.16 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-methylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarboximidamide is sourced from PubChem (CID 163728574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).