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

C9H12N6 — CID 10679699

IUPACN'-[(Z)-1,2-dicyano-2-(methyliminomethylamino)ethenyl]-N,N-dimethylmethanimidamide
SMILESC/N=C/N/C(C#N)=C(C#N)\N=C\N(C)C
InChIInChI=1S/C9H12N6/c1-12-6-13-8(4-10)9(5-11)14-7-15(2)3/h6-7H,1-3H3,(H,12,13)/b9-8-,14-7+
InChIKeyOSBZTVDWVPALKC-GBYAIJDDSA-N
MW204.24 g/mol
LogP0.08
Rot. Bonds4

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

N'-[(Z)-1,2-dicyano-2-(methyliminomethylamino)ethenyl]-N,N-dimethylmethanimidamide (PubChem CID 10679699) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is N'-[(Z)-1,2-dicyano-2-(methyliminomethylamino)ethenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1,2-dicyano-2-(methyliminomethylamino)ethenyl]-N,N-dimethylmethanimidamide
PubChem CID10679699
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC NameN'-[(Z)-1,2-dicyano-2-(methyliminomethylamino)ethenyl]-N,N-dimethylmethanimidamide
SMILESC/N=C/N/C(C#N)=C(C#N)\N=C\N(C)C
InChIInChI=1S/C9H12N6/c1-12-6-13-8(4-10)9(5-11)14-7-15(2)3/h6-7H,1-3H3,(H,12,13)/b9-8-,14-7+
InChIKeyOSBZTVDWVPALKC-GBYAIJDDSA-N
XLogP0.08
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.08
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,N-dimethylmethanimidamide
CID 12942440
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)-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

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1,2-dicyano-2-(methyliminomethylamino)ethenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(Z)-1,2-dicyano-2-(methyliminomethylamino)ethenyl]-N,N-dimethylmethanimidamide (CID 10679699) is N'-[(Z)-1,2-dicyano-2-(methyliminomethylamino)ethenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(Z)-1,2-dicyano-2-(methyliminomethylamino)ethenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(Z)-1,2-dicyano-2-(methyliminomethylamino)ethenyl]-N,N-dimethylmethanimidamide is C/N=C/N/C(C#N)=C(C#N)\N=C\N(C)C.
What is the InChIKey of N'-[(Z)-1,2-dicyano-2-(methyliminomethylamino)ethenyl]-N,N-dimethylmethanimidamide?
The InChIKey is OSBZTVDWVPALKC-GBYAIJDDSA-N. The full InChI is InChI=1S/C9H12N6/c1-12-6-13-8(4-10)9(5-11)14-7-15(2)3/h6-7H,1-3H3,(H,12,13)/b9-8-,14-7+.
What are the key properties of N'-[(Z)-1,2-dicyano-2-(methyliminomethylamino)ethenyl]-N,N-dimethylmethanimidamide?
N'-[(Z)-1,2-dicyano-2-(methyliminomethylamino)ethenyl]-N,N-dimethylmethanimidamide has a molecular weight of 204.24 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1,2-dicyano-2-(methyliminomethylamino)ethenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 10679699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).