N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide

C7H9N5 — CID 12942440

IUPACN'-[(Z)-2-amino-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/C(C#N)=C(\N)C#N
InChIInChI=1S/C7H9N5/c1-12(2)5-11-7(4-9)6(10)3-8/h5H,10H2,1-2H3/b7-6-,11-5+
InChIKeyQWXILPIFKQNIMF-TUKAJDRUSA-N
MW163.18 g/mol
LogP-0.21
Rot. Bonds2

About N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide

N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide (PubChem CID 12942440) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-amino-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide
PubChem CID12942440
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC NameN'-[(Z)-2-amino-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/C(C#N)=C(\N)C#N
InChIInChI=1S/C7H9N5/c1-12(2)5-11-7(4-9)6(10)3-8/h5H,10H2,1-2H3/b7-6-,11-5+
InChIKeyQWXILPIFKQNIMF-TUKAJDRUSA-N
XLogP-0.21
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-ethylmethanimidamide
CID 133675159
N'-[(Z)-1,2-dicyano-2-(dimethylaminomethylideneamino)ethenyl]-N,N-dimethylmethanimidamide
CID 139055171
N'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimidamide;ethane
CID 142885023
N'-[(Z)-1,2-dicyano-2-(methyliminomethylamino)ethenyl]-N,N-dimethylmethanimidamide
CID 10679699
N'-[(Z)-1,2-dicyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide
CID 12895924
N'-(2-amino-1,2-dicyanoethenyl)-N,N-dimethylmethanimidamide
CID 73177790
N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-methylmethanimidamide
CID 100936433
N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N,N-dimethylethanimidamide
CID 133669585

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide (CID 12942440) is N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/C(C#N)=C(\N)C#N.
What is the InChIKey of N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide?
The InChIKey is QWXILPIFKQNIMF-TUKAJDRUSA-N. The full InChI is InChI=1S/C7H9N5/c1-12(2)5-11-7(4-9)6(10)3-8/h5H,10H2,1-2H3/b7-6-,11-5+.
What are the key properties of N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide?
N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide has a molecular weight of 163.18 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 12942440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).