N'-[3-(dimethylamino)phenyl]benzenecarboximidamide

C15H17N3 — CID 113297943

IUPACN'-[3-(dimethylamino)phenyl]benzenecarboximidamide
SMILESCN(C)c1cccc(/N=C(\N)c2ccccc2)c1
InChIInChI=1S/C15H17N3/c1-18(2)14-10-6-9-13(11-14)17-15(16)12-7-4-3-5-8-12/h3-11H,1-2H3,(H2,16,17)
InChIKeyUYYOVURQEWFAGH-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.79
Rot. Bonds3

About N'-[3-(dimethylamino)phenyl]benzenecarboximidamide

N'-[3-(dimethylamino)phenyl]benzenecarboximidamide (PubChem CID 113297943) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N'-[3-(dimethylamino)phenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)phenyl]benzenecarboximidamide
PubChem CID113297943
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN'-[3-(dimethylamino)phenyl]benzenecarboximidamide
SMILESCN(C)c1cccc(/N=C(\N)c2ccccc2)c1
InChIInChI=1S/C15H17N3/c1-18(2)14-10-6-9-13(11-14)17-15(16)12-7-4-3-5-8-12/h3-11H,1-2H3,(H2,16,17)
InChIKeyUYYOVURQEWFAGH-UHFFFAOYSA-N
XLogP2.79
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[3-(dimethylamino)phenyl]benzenecarboximidamide 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 N'-[3-(dimethylamino)phenyl]benzenecarboximidamide?
The IUPAC name of N'-[3-(dimethylamino)phenyl]benzenecarboximidamide (CID 113297943) is N'-[3-(dimethylamino)phenyl]benzenecarboximidamide.
What is the SMILES notation for N'-[3-(dimethylamino)phenyl]benzenecarboximidamide?
The canonical SMILES for N'-[3-(dimethylamino)phenyl]benzenecarboximidamide is CN(C)c1cccc(/N=C(\N)c2ccccc2)c1.
What is the InChIKey of N'-[3-(dimethylamino)phenyl]benzenecarboximidamide?
The InChIKey is UYYOVURQEWFAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-18(2)14-10-6-9-13(11-14)17-15(16)12-7-4-3-5-8-12/h3-11H,1-2H3,(H2,16,17).
What are the key properties of N'-[3-(dimethylamino)phenyl]benzenecarboximidamide?
N'-[3-(dimethylamino)phenyl]benzenecarboximidamide has a molecular weight of 239.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)phenyl]benzenecarboximidamide is sourced from PubChem (CID 113297943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).