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

C9H13N5 — CID 12895924

IUPACN'-[(Z)-1,2-dicyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/C(C#N)=C(/C#N)N(C)C
InChIInChI=1S/C9H13N5/c1-13(2)7-12-8(5-10)9(6-11)14(3)4/h7H,1-4H3/b9-8-,12-7+
InChIKeyJZBHGGGGURETIS-ZHCAKQDLSA-N
MW191.24 g/mol
LogP0.40
Rot. Bonds3

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

N'-[(Z)-1,2-dicyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide (PubChem CID 12895924) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is N'-[(Z)-1,2-dicyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1,2-dicyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide
PubChem CID12895924
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC NameN'-[(Z)-1,2-dicyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/C(C#N)=C(/C#N)N(C)C
InChIInChI=1S/C9H13N5/c1-13(2)7-12-8(5-10)9(6-11)14(3)4/h7H,1-4H3/b9-8-,12-7+
InChIKeyJZBHGGGGURETIS-ZHCAKQDLSA-N
XLogP0.40
TPSA66.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.40
H-Bond Donors ≤ 50
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,N-dimethylmethanimidamide
CID 12942440
N'-[(Z)-1,2-dicyano-2-(dimethylaminomethylideneamino)ethenyl]-N,N-dimethylmethanimidamide
CID 139055171
N'-(1,1-dicyanoprop-1-en-2-yl)-N,N-dimethylmethanimidamide
CID 4293753
N'-[(Z)-1,2-dicyano-2-(methyliminomethylamino)ethenyl]-N,N-dimethylmethanimidamide
CID 10679699
N'-(2-amino-1,2-dicyanoethenyl)-N,N-dimethylmethanimidamide
CID 73177790

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1,2-dicyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(Z)-1,2-dicyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide (CID 12895924) is N'-[(Z)-1,2-dicyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(Z)-1,2-dicyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(Z)-1,2-dicyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/C(C#N)=C(/C#N)N(C)C.
What is the InChIKey of N'-[(Z)-1,2-dicyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide?
The InChIKey is JZBHGGGGURETIS-ZHCAKQDLSA-N. The full InChI is InChI=1S/C9H13N5/c1-13(2)7-12-8(5-10)9(6-11)14(3)4/h7H,1-4H3/b9-8-,12-7+.
What are the key properties of N'-[(Z)-1,2-dicyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide?
N'-[(Z)-1,2-dicyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide has a molecular weight of 191.24 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1,2-dicyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 12895924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).