N,N-dimethylmethanamine;(4-formylphenyl)boronic acid

C10H16BNO3 — CID 144500695

IUPACN,N-dimethylmethanamine;(4-formylphenyl)boronic acid
SMILESCN(C)C.O=Cc1ccc(B(O)O)cc1
InChIInChI=1S/C7H7BO3.C3H9N/c9-5-6-1-3-7(4-2-6)8(10)11;1-4(2)3/h1-5,10-11H;1-3H3
InChIKeyGZKUVBOTDNEUAL-UHFFFAOYSA-N
MW209.05 g/mol
LogP-0.64
Rot. Bonds2

About N,N-dimethylmethanamine;(4-formylphenyl)boronic acid

N,N-dimethylmethanamine;(4-formylphenyl)boronic acid (PubChem CID 144500695) has the molecular formula C10H16BNO3 and a molecular weight of 209.05 g/mol. Its IUPAC name is N,N-dimethylmethanamine;(4-formylphenyl)boronic acid.

Molecular Properties

Compound NameN,N-dimethylmethanamine;(4-formylphenyl)boronic acid
PubChem CID144500695
Molecular FormulaC10H16BNO3
Molecular Weight209.05 g/mol
Exact Mass209.12
IUPAC NameN,N-dimethylmethanamine;(4-formylphenyl)boronic acid
SMILESCN(C)C.O=Cc1ccc(B(O)O)cc1
InChIInChI=1S/C7H7BO3.C3H9N/c9-5-6-1-3-7(4-2-6)8(10)11;1-4(2)3/h1-5,10-11H;1-3H3
InChIKeyGZKUVBOTDNEUAL-UHFFFAOYSA-N
XLogP-0.64
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-formylphenyl)boronic acid;(4-formylphenyl)-methoxyborinic acid;phenylboronic acid
CID 158856473
[4-[(4-formylanilino)methyl]phenyl]boronic acid
CID 125469680
4-(2,5-dimethylphenyl)benzaldehyde;(4-formylphenyl)boronic acid;1,2,4-trimethylbenzene
CID 159864555
[4-[methyl(2-oxoethyl)amino]phenyl]boronic acid
CID 152548297
[4-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]phenyl]boronic acid
CID 10017260
[4-(3-formylphenyl)phenyl]boronic acid
CID 23005401
1-(difluoromethoxy)-4-iodobenzene;(4-formylphenyl)boronic acid
CID 87903244
1-chloro-2-fluoro-4-iodobenzene;(4-formylphenyl)boronic acid
CID 87903248
CID 162414394
CID 162414394
acetaldehyde;ethane;phenylboronic acid
CID 90955598
benzene;terephthalaldehyde
CID 163498156
(4-formylphenyl)boronic acid;1-(4-iodophenyl)sulfonylpiperidine
CID 87717445

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;(4-formylphenyl)boronic acid?
The IUPAC name of N,N-dimethylmethanamine;(4-formylphenyl)boronic acid (CID 144500695) is N,N-dimethylmethanamine;(4-formylphenyl)boronic acid.
What is the SMILES notation for N,N-dimethylmethanamine;(4-formylphenyl)boronic acid?
The canonical SMILES for N,N-dimethylmethanamine;(4-formylphenyl)boronic acid is CN(C)C.O=Cc1ccc(B(O)O)cc1.
What is the InChIKey of N,N-dimethylmethanamine;(4-formylphenyl)boronic acid?
The InChIKey is GZKUVBOTDNEUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BO3.C3H9N/c9-5-6-1-3-7(4-2-6)8(10)11;1-4(2)3/h1-5,10-11H;1-3H3.
What are the key properties of N,N-dimethylmethanamine;(4-formylphenyl)boronic acid?
N,N-dimethylmethanamine;(4-formylphenyl)boronic acid has a molecular weight of 209.05 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;(4-formylphenyl)boronic acid is sourced from PubChem (CID 144500695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).