N'-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-N,N-dimethylmethanimidamide

C14H17N3 — CID 58719867

IUPACN'-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-N,N-dimethylmethanimidamide
SMILESCc1cc(/C=C/C#N)cc(C)c1/N=C/N(C)C
InChIInChI=1S/C14H17N3/c1-11-8-13(6-5-7-15)9-12(2)14(11)16-10-17(3)4/h5-6,8-10H,1-4H3/b6-5+,16-10+
InChIKeyHWIFQFSLCSQMLI-JPAVNTRHSA-N
MW227.31 g/mol
LogP3.06
Rot. Bonds3

About N'-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-N,N-dimethylmethanimidamide

N'-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-N,N-dimethylmethanimidamide (PubChem CID 58719867) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-N,N-dimethylmethanimidamide
PubChem CID58719867
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN'-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-N,N-dimethylmethanimidamide
SMILESCc1cc(/C=C/C#N)cc(C)c1/N=C/N(C)C
InChIInChI=1S/C14H17N3/c1-11-8-13(6-5-7-15)9-12(2)14(11)16-10-17(3)4/h5-6,8-10H,1-4H3/b6-5+,16-10+
InChIKeyHWIFQFSLCSQMLI-JPAVNTRHSA-N
XLogP3.06
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-N,N-dimethylmethanimidamide (CID 58719867) is N'-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-N,N-dimethylmethanimidamide is Cc1cc(/C=C/C#N)cc(C)c1/N=C/N(C)C.
What is the InChIKey of N'-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-N,N-dimethylmethanimidamide?
The InChIKey is HWIFQFSLCSQMLI-JPAVNTRHSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-8-13(6-5-7-15)9-12(2)14(11)16-10-17(3)4/h5-6,8-10H,1-4H3/b6-5+,16-10+.
What are the key properties of N'-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-N,N-dimethylmethanimidamide?
N'-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-N,N-dimethylmethanimidamide has a molecular weight of 227.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 58719867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).