N'-ethenyl-2-methyliminopropanimidamide

C6H11N3 — CID 126657957

IUPACN'-ethenyl-2-methyliminopropanimidamide
SMILESC=C/N=C(N)/C(C)=N/C
InChIInChI=1S/C6H11N3/c1-4-9-6(7)5(2)8-3/h4H,1H2,2-3H3,(H2,7,9)/b8-5+
InChIKeySYNQIDLDQJAISF-VMPITWQZSA-N
MW125.17 g/mol
LogP0.58
Rot. Bonds2

About N'-ethenyl-2-methyliminopropanimidamide

N'-ethenyl-2-methyliminopropanimidamide (PubChem CID 126657957) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N'-ethenyl-2-methyliminopropanimidamide.

Molecular Properties

Compound NameN'-ethenyl-2-methyliminopropanimidamide
PubChem CID126657957
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN'-ethenyl-2-methyliminopropanimidamide
SMILESC=C/N=C(N)/C(C)=N/C
InChIInChI=1S/C6H11N3/c1-4-9-6(7)5(2)8-3/h4H,1H2,2-3H3,(H2,7,9)/b8-5+
InChIKeySYNQIDLDQJAISF-VMPITWQZSA-N
XLogP0.58
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-ethenyl-2-methyliminopropanimidamide 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-2-methyliminopropanimidamide?
The IUPAC name of N'-ethenyl-2-methyliminopropanimidamide (CID 126657957) is N'-ethenyl-2-methyliminopropanimidamide.
What is the SMILES notation for N'-ethenyl-2-methyliminopropanimidamide?
The canonical SMILES for N'-ethenyl-2-methyliminopropanimidamide is C=C/N=C(N)/C(C)=N/C.
What is the InChIKey of N'-ethenyl-2-methyliminopropanimidamide?
The InChIKey is SYNQIDLDQJAISF-VMPITWQZSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-9-6(7)5(2)8-3/h4H,1H2,2-3H3,(H2,7,9)/b8-5+.
What are the key properties of N'-ethenyl-2-methyliminopropanimidamide?
N'-ethenyl-2-methyliminopropanimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-2-methyliminopropanimidamide is sourced from PubChem (CID 126657957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).