N-ethenyl-N'-(methyliminomethyl)methanimidamide

C5H9N3 — CID 118973107

IUPACN-ethenyl-N'-(methyliminomethyl)methanimidamide
SMILESC=CN/C=N/C=N/C
InChIInChI=1S/C5H9N3/c1-3-7-5-8-4-6-2/h3-5H,1H2,2H3,(H,6,7,8)
InChIKeyRSNWKZOLLNRIOB-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.41
Rot. Bonds3

About N-ethenyl-N'-(methyliminomethyl)methanimidamide

N-ethenyl-N'-(methyliminomethyl)methanimidamide (PubChem CID 118973107) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N-ethenyl-N'-(methyliminomethyl)methanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-(methyliminomethyl)methanimidamide
PubChem CID118973107
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN-ethenyl-N'-(methyliminomethyl)methanimidamide
SMILESC=CN/C=N/C=N/C
InChIInChI=1S/C5H9N3/c1-3-7-5-8-4-6-2/h3-5H,1H2,2H3,(H,6,7,8)
InChIKeyRSNWKZOLLNRIOB-UHFFFAOYSA-N
XLogP0.41
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-ethenyl-N'-(methyliminomethyl)methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-(methyliminomethyl)methanimidamide?
The IUPAC name of N-ethenyl-N'-(methyliminomethyl)methanimidamide (CID 118973107) is N-ethenyl-N'-(methyliminomethyl)methanimidamide.
What is the SMILES notation for N-ethenyl-N'-(methyliminomethyl)methanimidamide?
The canonical SMILES for N-ethenyl-N'-(methyliminomethyl)methanimidamide is C=CN/C=N/C=N/C.
What is the InChIKey of N-ethenyl-N'-(methyliminomethyl)methanimidamide?
The InChIKey is RSNWKZOLLNRIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-3-7-5-8-4-6-2/h3-5H,1H2,2H3,(H,6,7,8).
What are the key properties of N-ethenyl-N'-(methyliminomethyl)methanimidamide?
N-ethenyl-N'-(methyliminomethyl)methanimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-(methyliminomethyl)methanimidamide is sourced from PubChem (CID 118973107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).