N-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide

C12H13N3 — CID 143176609

IUPACN-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide
SMILESC/N=C(C)/N=C(\C)c1cccc(C#N)c1
InChIInChI=1S/C12H13N3/c1-9(15-10(2)14-3)12-6-4-5-11(7-12)8-13/h4-7H,1-3H3/b14-10+,15-9+
InChIKeyRADWMKZXHOSBKU-WEIBIQTGSA-N
MW199.26 g/mol
LogP2.42
Rot. Bonds1

About N-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide

N-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide (PubChem CID 143176609) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide
PubChem CID143176609
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide
SMILESC/N=C(C)/N=C(\C)c1cccc(C#N)c1
InChIInChI=1S/C12H13N3/c1-9(15-10(2)14-3)12-6-4-5-11(7-12)8-13/h4-7H,1-3H3/b14-10+,15-9+
InChIKeyRADWMKZXHOSBKU-WEIBIQTGSA-N
XLogP2.42
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
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-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide 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

3-(C-methyl-N-phenylmethoxycarbonimidoyl)benzonitrile
CID 73433324
3-(azanylidyne(113C)methyl)(13C)benzoic acid
CID 76973042
3-cyanobenzenecarbothioamide
CID 23279245
3-cyanobenzoic acid;silver
CID 88821173
3-(4-oxopentanoyl)benzonitrile
CID 43608274
3-cyano-N,N-dimethylbenzenecarbothioamide
CID 156695114
3-cyano-N-propan-2-ylidene-N'-[(Z)-1-triphenylen-2-ylprop-1-enyl]benzenecarboximidamide
CID 153329289
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
(3Z)-3-(3-cyanophenyl)-3-hydroxyiminopropanoic acid
CID 170871603
3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide
CID 24961543
3-(2-cyanoacetyl)benzonitrile
CID 23423882
3-[(1E,3E)-2,4-bis(2,7-dimethylcarbazol-9-yl)-1-(methylideneamino)penta-1,3-dien-3-yl]benzonitrile
CID 146544168

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide?
The IUPAC name of N-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide (CID 143176609) is N-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide.
What is the SMILES notation for N-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide?
The canonical SMILES for N-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide is C/N=C(C)/N=C(\C)c1cccc(C#N)c1.
What is the InChIKey of N-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide?
The InChIKey is RADWMKZXHOSBKU-WEIBIQTGSA-N. The full InChI is InChI=1S/C12H13N3/c1-9(15-10(2)14-3)12-6-4-5-11(7-12)8-13/h4-7H,1-3H3/b14-10+,15-9+.
What are the key properties of N-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide?
N-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide has a molecular weight of 199.26 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide is sourced from PubChem (CID 143176609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).