1-ethenyl-2-methylguanidine

C4H9N3 — CID 59124435

IUPAC1-ethenyl-2-methylguanidine
SMILESC=CN/C(N)=N/C
InChIInChI=1S/C4H9N3/c1-3-7-4(5)6-2/h3H,1H2,2H3,(H3,5,6,7)
InChIKeyZBOPWGFNJLFZDD-UHFFFAOYSA-N
MW99.14 g/mol
LogP-0.34
Rot. Bonds1

About 1-ethenyl-2-methylguanidine

1-ethenyl-2-methylguanidine (PubChem CID 59124435) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 1-ethenyl-2-methylguanidine.

Molecular Properties

Compound Name1-ethenyl-2-methylguanidine
PubChem CID59124435
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name1-ethenyl-2-methylguanidine
SMILESC=CN/C(N)=N/C
InChIInChI=1S/C4H9N3/c1-3-7-4(5)6-2/h3H,1H2,2H3,(H3,5,6,7)
InChIKeyZBOPWGFNJLFZDD-UHFFFAOYSA-N
XLogP-0.34
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1-ethenyl-2-methylguanidine?
The IUPAC name of 1-ethenyl-2-methylguanidine (CID 59124435) is 1-ethenyl-2-methylguanidine.
What is the SMILES notation for 1-ethenyl-2-methylguanidine?
The canonical SMILES for 1-ethenyl-2-methylguanidine is C=CN/C(N)=N/C.
What is the InChIKey of 1-ethenyl-2-methylguanidine?
The InChIKey is ZBOPWGFNJLFZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-3-7-4(5)6-2/h3H,1H2,2H3,(H3,5,6,7).
What are the key properties of 1-ethenyl-2-methylguanidine?
1-ethenyl-2-methylguanidine has a molecular weight of 99.14 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methylguanidine is sourced from PubChem (CID 59124435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).