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

C10H14N6 — CID 139055171

IUPACN'-[(Z)-1,2-dicyano-2-(dimethylaminomethylideneamino)ethenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/C(C#N)=C(C#N)\N=C\N(C)C
InChIInChI=1S/C10H14N6/c1-15(2)7-13-9(5-11)10(6-12)14-8-16(3)4/h7-8H,1-4H3/b10-9-,13-7+,14-8+
InChIKeyIMUIWPQESANKGX-ABCSDFNTSA-N
MW218.26 g/mol
LogP0.42
Rot. Bonds4

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

N'-[(Z)-1,2-dicyano-2-(dimethylaminomethylideneamino)ethenyl]-N,N-dimethylmethanimidamide (PubChem CID 139055171) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is N'-[(Z)-1,2-dicyano-2-(dimethylaminomethylideneamino)ethenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1,2-dicyano-2-(dimethylaminomethylideneamino)ethenyl]-N,N-dimethylmethanimidamide
PubChem CID139055171
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC NameN'-[(Z)-1,2-dicyano-2-(dimethylaminomethylideneamino)ethenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/C(C#N)=C(C#N)\N=C\N(C)C
InChIInChI=1S/C10H14N6/c1-15(2)7-13-9(5-11)10(6-12)14-8-16(3)4/h7-8H,1-4H3/b10-9-,13-7+,14-8+
InChIKeyIMUIWPQESANKGX-ABCSDFNTSA-N
XLogP0.42
TPSA78.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.42
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'-(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'-[(Z)-1,2-dicyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide
CID 12895924
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-(dimethylaminomethylideneamino)ethenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(Z)-1,2-dicyano-2-(dimethylaminomethylideneamino)ethenyl]-N,N-dimethylmethanimidamide (CID 139055171) is N'-[(Z)-1,2-dicyano-2-(dimethylaminomethylideneamino)ethenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(Z)-1,2-dicyano-2-(dimethylaminomethylideneamino)ethenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(Z)-1,2-dicyano-2-(dimethylaminomethylideneamino)ethenyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/C(C#N)=C(C#N)\N=C\N(C)C.
What is the InChIKey of N'-[(Z)-1,2-dicyano-2-(dimethylaminomethylideneamino)ethenyl]-N,N-dimethylmethanimidamide?
The InChIKey is IMUIWPQESANKGX-ABCSDFNTSA-N. The full InChI is InChI=1S/C10H14N6/c1-15(2)7-13-9(5-11)10(6-12)14-8-16(3)4/h7-8H,1-4H3/b10-9-,13-7+,14-8+.
What are the key properties of N'-[(Z)-1,2-dicyano-2-(dimethylaminomethylideneamino)ethenyl]-N,N-dimethylmethanimidamide?
N'-[(Z)-1,2-dicyano-2-(dimethylaminomethylideneamino)ethenyl]-N,N-dimethylmethanimidamide has a molecular weight of 218.26 g/mol, XLogP of 0.42, 4 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-(dimethylaminomethylideneamino)ethenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 139055171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).