N'-ethenyl-2-methyliminoethanimidamide;molecular hydrogen

C5H11N3 — CID 144607041

IUPACN'-ethenyl-2-methyliminoethanimidamide;molecular hydrogen
SMILESC=C/N=C(N)/C=N/C.[H][H]
InChIInChI=1S/C5H9N3.H2/c1-3-8-5(6)4-7-2;/h3-4H,1H2,2H3,(H2,6,8);1H/b7-4+;
InChIKeyPQHYBBNAIRKXMQ-KQGICBIGSA-N
MW113.16 g/mol
LogP0.43
Rot. Bonds2

About N'-ethenyl-2-methyliminoethanimidamide;molecular hydrogen

N'-ethenyl-2-methyliminoethanimidamide;molecular hydrogen (PubChem CID 144607041) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N'-ethenyl-2-methyliminoethanimidamide;molecular hydrogen.

Molecular Properties

Compound NameN'-ethenyl-2-methyliminoethanimidamide;molecular hydrogen
PubChem CID144607041
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN'-ethenyl-2-methyliminoethanimidamide;molecular hydrogen
SMILESC=C/N=C(N)/C=N/C.[H][H]
InChIInChI=1S/C5H9N3.H2/c1-3-8-5(6)4-7-2;/h3-4H,1H2,2H3,(H2,6,8);1H/b7-4+;
InChIKeyPQHYBBNAIRKXMQ-KQGICBIGSA-N
XLogP0.43
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.43
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-2-methyliminoethanimidamide;molecular hydrogen?
The IUPAC name of N'-ethenyl-2-methyliminoethanimidamide;molecular hydrogen (CID 144607041) is N'-ethenyl-2-methyliminoethanimidamide;molecular hydrogen.
What is the SMILES notation for N'-ethenyl-2-methyliminoethanimidamide;molecular hydrogen?
The canonical SMILES for N'-ethenyl-2-methyliminoethanimidamide;molecular hydrogen is C=C/N=C(N)/C=N/C.[H][H].
What is the InChIKey of N'-ethenyl-2-methyliminoethanimidamide;molecular hydrogen?
The InChIKey is PQHYBBNAIRKXMQ-KQGICBIGSA-N. The full InChI is InChI=1S/C5H9N3.H2/c1-3-8-5(6)4-7-2;/h3-4H,1H2,2H3,(H2,6,8);1H/b7-4+;.
What are the key properties of N'-ethenyl-2-methyliminoethanimidamide;molecular hydrogen?
N'-ethenyl-2-methyliminoethanimidamide;molecular hydrogen has a molecular weight of 113.16 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-2-methyliminoethanimidamide;molecular hydrogen is sourced from PubChem (CID 144607041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).