N-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide

C12H11N5 — CID 3005069

IUPACN-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide
SMILESN#C/C(N)=C(/C#N)N/C=N/Cc1ccccc1
InChIInChI=1S/C12H11N5/c13-6-11(15)12(7-14)17-9-16-8-10-4-2-1-3-5-10/h1-5,9H,8,15H2,(H,16,17)/b12-11+
InChIKeyUQZZHPMRAWQUAV-VAWYXSNFSA-N
MW225.25 g/mol
LogP1.02
Rot. Bonds4

About N-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide

N-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide (PubChem CID 3005069) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide.

Molecular Properties

Compound NameN-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide
PubChem CID3005069
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC NameN-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide
SMILESN#C/C(N)=C(/C#N)N/C=N/Cc1ccccc1
InChIInChI=1S/C12H11N5/c13-6-11(15)12(7-14)17-9-16-8-10-4-2-1-3-5-10/h1-5,9H,8,15H2,(H,16,17)/b12-11+
InChIKeyUQZZHPMRAWQUAV-VAWYXSNFSA-N
XLogP1.02
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide 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

N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-[(2-chlorophenyl)methyl]methanimidamide
CID 10901346
N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-(2-hydroxyethyl)methanimidamide
CID 5468434
2-benzyliminoacetonitrile
CID 10975606
N'-benzyl-N-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)methanimidamide
CID 139224983
N'-(benzyliminomethyl)benzenecarboximidamide
CID 118508894
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N'-benzylmethanimidamide
CID 91699453
3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine
CID 174087166
benzyliminotungsten
CID 21354480
(E)-N-benzyl-4-phenylbut-3-en-1-imine
CID 101087207
2-benzyl-1-phenylguanidine
CID 12910062
2-cyano-6-phenylhex-2-enethioamide
CID 173349545
N'-benzyl-N,N-dimethylmethanimidamide
CID 523875

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide?
The IUPAC name of N-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide (CID 3005069) is N-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide.
What is the SMILES notation for N-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide?
The canonical SMILES for N-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide is N#C/C(N)=C(/C#N)N/C=N/Cc1ccccc1.
What is the InChIKey of N-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide?
The InChIKey is UQZZHPMRAWQUAV-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H11N5/c13-6-11(15)12(7-14)17-9-16-8-10-4-2-1-3-5-10/h1-5,9H,8,15H2,(H,16,17)/b12-11+.
What are the key properties of N-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide?
N-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide has a molecular weight of 225.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide is sourced from PubChem (CID 3005069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).