N'-(1,1-dicyanoprop-1-en-2-yl)-N,N-dimethylmethanimidamide

C8H10N4 — CID 4293753

IUPACN'-(1,1-dicyanoprop-1-en-2-yl)-N,N-dimethylmethanimidamide
SMILESCC(/N=C/N(C)C)=C(C#N)C#N
InChIInChI=1S/C8H10N4/c1-7(8(4-9)5-10)11-6-12(2)3/h6H,1-3H3/b11-6+
InChIKeyFUESJCACAGXSEE-IZZDOVSWSA-N
MW162.20 g/mol
LogP0.90
Rot. Bonds2

About N'-(1,1-dicyanoprop-1-en-2-yl)-N,N-dimethylmethanimidamide

N'-(1,1-dicyanoprop-1-en-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 4293753) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is N'-(1,1-dicyanoprop-1-en-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(1,1-dicyanoprop-1-en-2-yl)-N,N-dimethylmethanimidamide
PubChem CID4293753
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC NameN'-(1,1-dicyanoprop-1-en-2-yl)-N,N-dimethylmethanimidamide
SMILESCC(/N=C/N(C)C)=C(C#N)C#N
InChIInChI=1S/C8H10N4/c1-7(8(4-9)5-10)11-6-12(2)3/h6H,1-3H3/b11-6+
InChIKeyFUESJCACAGXSEE-IZZDOVSWSA-N
XLogP0.90
TPSA63.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-1,2-dicyano-2-(dimethylaminomethylideneamino)ethenyl]-N,N-dimethylmethanimidamide
CID 139055171
N'-(1,1-dicyanobut-1-en-2-yl)-N,N-dimethylmethanimidamide
CID 12680137
N'-[(Z)-1,2-dicyano-2-(dimethylamino)ethenyl]-N,N-dimethylmethanimidamide
CID 12895924

Frequently Asked Questions

What is the IUPAC name of N'-(1,1-dicyanoprop-1-en-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(1,1-dicyanoprop-1-en-2-yl)-N,N-dimethylmethanimidamide (CID 4293753) is N'-(1,1-dicyanoprop-1-en-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(1,1-dicyanoprop-1-en-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(1,1-dicyanoprop-1-en-2-yl)-N,N-dimethylmethanimidamide is CC(/N=C/N(C)C)=C(C#N)C#N.
What is the InChIKey of N'-(1,1-dicyanoprop-1-en-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is FUESJCACAGXSEE-IZZDOVSWSA-N. The full InChI is InChI=1S/C8H10N4/c1-7(8(4-9)5-10)11-6-12(2)3/h6H,1-3H3/b11-6+.
What are the key properties of N'-(1,1-dicyanoprop-1-en-2-yl)-N,N-dimethylmethanimidamide?
N'-(1,1-dicyanoprop-1-en-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 162.20 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-dicyanoprop-1-en-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 4293753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).