N'-(3-cyanophenyl)-3,5-dimethylbenzenecarboximidamide

C16H15N3 — CID 4262709

IUPACN'-(3-cyanophenyl)-3,5-dimethylbenzenecarboximidamide
SMILESCc1cc(C)cc(/C(N)=N/c2cccc(C#N)c2)c1
InChIInChI=1S/C16H15N3/c1-11-6-12(2)8-14(7-11)16(18)19-15-5-3-4-13(9-15)10-17/h3-9H,1-2H3,(H2,18,19)
InChIKeyAMYFSZJRVFIVOL-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.21
Rot. Bonds2

About N'-(3-cyanophenyl)-3,5-dimethylbenzenecarboximidamide

N'-(3-cyanophenyl)-3,5-dimethylbenzenecarboximidamide (PubChem CID 4262709) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is N'-(3-cyanophenyl)-3,5-dimethylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(3-cyanophenyl)-3,5-dimethylbenzenecarboximidamide
PubChem CID4262709
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC NameN'-(3-cyanophenyl)-3,5-dimethylbenzenecarboximidamide
SMILESCc1cc(C)cc(/C(N)=N/c2cccc(C#N)c2)c1
InChIInChI=1S/C16H15N3/c1-11-6-12(2)8-14(7-11)16(18)19-15-5-3-4-13(9-15)10-17/h3-9H,1-2H3,(H2,18,19)
InChIKeyAMYFSZJRVFIVOL-UHFFFAOYSA-N
XLogP3.21
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.21
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-cyanophenyl)-3,5-dimethylbenzenecarboximidamide 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-cyanophenyl)-3,5-dimethylbenzenecarboximidamide?
The IUPAC name of N'-(3-cyanophenyl)-3,5-dimethylbenzenecarboximidamide (CID 4262709) is N'-(3-cyanophenyl)-3,5-dimethylbenzenecarboximidamide.
What is the SMILES notation for N'-(3-cyanophenyl)-3,5-dimethylbenzenecarboximidamide?
The canonical SMILES for N'-(3-cyanophenyl)-3,5-dimethylbenzenecarboximidamide is Cc1cc(C)cc(/C(N)=N/c2cccc(C#N)c2)c1.
What is the InChIKey of N'-(3-cyanophenyl)-3,5-dimethylbenzenecarboximidamide?
The InChIKey is AMYFSZJRVFIVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-11-6-12(2)8-14(7-11)16(18)19-15-5-3-4-13(9-15)10-17/h3-9H,1-2H3,(H2,18,19).
What are the key properties of N'-(3-cyanophenyl)-3,5-dimethylbenzenecarboximidamide?
N'-(3-cyanophenyl)-3,5-dimethylbenzenecarboximidamide has a molecular weight of 249.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyanophenyl)-3,5-dimethylbenzenecarboximidamide is sourced from PubChem (CID 4262709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).