1-benzoyl-1-(dimethylamino)guanidine

C10H14N4O — CID 67736617

IUPAC1-benzoyl-1-(dimethylamino)guanidine
SMILES[H]/N=C(\N)N(C(=O)c1ccccc1)N(C)C
InChIInChI=1S/C10H14N4O/c1-13(2)14(10(11)12)9(15)8-6-4-3-5-7-8/h3-7H,1-2H3,(H3,11,12)
InChIKeyIFKFYZSJHUDBMG-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.50
Rot. Bonds2

About 1-benzoyl-1-(dimethylamino)guanidine

1-benzoyl-1-(dimethylamino)guanidine (PubChem CID 67736617) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-benzoyl-1-(dimethylamino)guanidine.

Molecular Properties

Compound Name1-benzoyl-1-(dimethylamino)guanidine
PubChem CID67736617
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-benzoyl-1-(dimethylamino)guanidine
SMILES[H]/N=C(\N)N(C(=O)c1ccccc1)N(C)C
InChIInChI=1S/C10H14N4O/c1-13(2)14(10(11)12)9(15)8-6-4-3-5-7-8/h3-7H,1-2H3,(H3,11,12)
InChIKeyIFKFYZSJHUDBMG-UHFFFAOYSA-N
XLogP0.50
TPSA73.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-benzoyl-1-(dimethylamino)guanidine 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

1-(dimethylamino)-1-(3-methylsulfonylbenzoyl)guanidine
CID 159787352
N-carbamimidoyl-N-hydroxybenzamide
CID 142670447
N-carbamimidoyl-N-fluorobenzamide
CID 140974582
N-carbamimidoyl-N-ethylbenzamide
CID 138105289
2-imino-2-phenylacetamide
CID 18431878
N-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide
CID 70407062
benzenecarboximidamide;propanoic acid
CID 159833627
1-acetamido-1-phenylguanidine
CID 54163778
N-(4-acetylphenyl)-N-carbamothioylbenzamide
CID 141254851
(N-carbamimidoylanilino) acetate
CID 141487567
benzoyl(methyl)carbamic acid;hydrochloride
CID 70634624
1,1-dibenzylguanidine
CID 9487

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-1-(dimethylamino)guanidine?
The IUPAC name of 1-benzoyl-1-(dimethylamino)guanidine (CID 67736617) is 1-benzoyl-1-(dimethylamino)guanidine.
What is the SMILES notation for 1-benzoyl-1-(dimethylamino)guanidine?
The canonical SMILES for 1-benzoyl-1-(dimethylamino)guanidine is [H]/N=C(\N)N(C(=O)c1ccccc1)N(C)C.
What is the InChIKey of 1-benzoyl-1-(dimethylamino)guanidine?
The InChIKey is IFKFYZSJHUDBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-13(2)14(10(11)12)9(15)8-6-4-3-5-7-8/h3-7H,1-2H3,(H3,11,12).
What are the key properties of 1-benzoyl-1-(dimethylamino)guanidine?
1-benzoyl-1-(dimethylamino)guanidine has a molecular weight of 206.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-1-(dimethylamino)guanidine is sourced from PubChem (CID 67736617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).