2-formyl-N,N-dimethylbenzenecarboximidamide

C10H12N2O — CID 57076481

IUPAC2-formyl-N,N-dimethylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccccc1C=O)N(C)C
InChIInChI=1S/C10H12N2O/c1-12(2)10(11)9-6-4-3-5-8(9)7-13/h3-7,11H,1-2H3/b11-10-
InChIKeyNMDZWKXLDPYYFQ-KHPPLWFESA-N
MW176.22 g/mol
LogP1.39
Rot. Bonds2

About 2-formyl-N,N-dimethylbenzenecarboximidamide

2-formyl-N,N-dimethylbenzenecarboximidamide (PubChem CID 57076481) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-formyl-N,N-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name2-formyl-N,N-dimethylbenzenecarboximidamide
PubChem CID57076481
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-formyl-N,N-dimethylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccccc1C=O)N(C)C
InChIInChI=1S/C10H12N2O/c1-12(2)10(11)9-6-4-3-5-8(9)7-13/h3-7,11H,1-2H3/b11-10-
InChIKeyNMDZWKXLDPYYFQ-KHPPLWFESA-N
XLogP1.39
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-formyl-N-heptyl-N-methylbenzamide
CID 144774360
[(2-formylbenzoyl)-methylamino] thiohypofluorite
CID 155149630
2-formylbenzoyl iodide
CID 88830490
2-formylbenzoic acid;methoxymethane
CID 90858085
2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde
CID 163774304
N'-[[dimethylamino(methyl)amino]-methylamino]-2-formyl-N'-methylbenzohydrazide
CID 155241258
2-formylbenzenecarbothioamide
CID 23021460
N'-(4-bromophenyl)-2-formyl-N-methylbenzohydrazide
CID 144653099
N-(5,6-dihydroxyhexyl)-2-formyl-N-methylbenzamide
CID 130371515
2-chloro-3-[1-(dimethylamino)ethenyl]benzaldehyde
CID 174675002
N-(2,4-dioxoimidazolidin-1-yl)-2-formyl-N-methylbenzamide
CID 130441815
N-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide
CID 139304498

Frequently Asked Questions

What is the IUPAC name of 2-formyl-N,N-dimethylbenzenecarboximidamide?
The IUPAC name of 2-formyl-N,N-dimethylbenzenecarboximidamide (CID 57076481) is 2-formyl-N,N-dimethylbenzenecarboximidamide.
What is the SMILES notation for 2-formyl-N,N-dimethylbenzenecarboximidamide?
The canonical SMILES for 2-formyl-N,N-dimethylbenzenecarboximidamide is [H]/N=C(/c1ccccc1C=O)N(C)C.
What is the InChIKey of 2-formyl-N,N-dimethylbenzenecarboximidamide?
The InChIKey is NMDZWKXLDPYYFQ-KHPPLWFESA-N. The full InChI is InChI=1S/C10H12N2O/c1-12(2)10(11)9-6-4-3-5-8(9)7-13/h3-7,11H,1-2H3/b11-10-.
What are the key properties of 2-formyl-N,N-dimethylbenzenecarboximidamide?
2-formyl-N,N-dimethylbenzenecarboximidamide has a molecular weight of 176.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N,N-dimethylbenzenecarboximidamide is sourced from PubChem (CID 57076481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).