N'-[1-cyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide

C8H14N4 — CID 54571502

IUPACN'-[1-cyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=C(C#N)/N=C/N(C)C
InChIInChI=1S/C8H14N4/c1-11(2)6-8(5-9)10-7-12(3)4/h6-7H,1-4H3/b8-6?,10-7+
InChIKeyZXPAOTBLPWCKST-UROOIGCASA-N
MW166.23 g/mol
LogP0.50
Rot. Bonds3

About N'-[1-cyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide

N'-[1-cyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide (PubChem CID 54571502) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N'-[1-cyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[1-cyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide
PubChem CID54571502
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN'-[1-cyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=C(C#N)/N=C/N(C)C
InChIInChI=1S/C8H14N4/c1-11(2)6-8(5-9)10-7-12(3)4/h6-7H,1-4H3/b8-6?,10-7+
InChIKeyZXPAOTBLPWCKST-UROOIGCASA-N
XLogP0.50
TPSA42.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-cyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[1-cyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide (CID 54571502) is N'-[1-cyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[1-cyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[1-cyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide is CN(C)C=C(C#N)/N=C/N(C)C.
What is the InChIKey of N'-[1-cyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide?
The InChIKey is ZXPAOTBLPWCKST-UROOIGCASA-N. The full InChI is InChI=1S/C8H14N4/c1-11(2)6-8(5-9)10-7-12(3)4/h6-7H,1-4H3/b8-6?,10-7+.
What are the key properties of N'-[1-cyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide?
N'-[1-cyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide has a molecular weight of 166.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-cyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 54571502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).