1-ethenyl-2-ethyl-3-methylideneguanidine

C6H11N3 — CID 144821632

IUPAC1-ethenyl-2-ethyl-3-methylideneguanidine
SMILESC=CN/C(N=C)=N/CC
InChIInChI=1S/C6H11N3/c1-4-8-6(7-3)9-5-2/h4H,1,3,5H2,2H3,(H,8,9)
InChIKeyIKQKXSSRRAGLNP-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.80
Rot. Bonds2

About 1-ethenyl-2-ethyl-3-methylideneguanidine

1-ethenyl-2-ethyl-3-methylideneguanidine (PubChem CID 144821632) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-ethenyl-2-ethyl-3-methylideneguanidine.

Molecular Properties

Compound Name1-ethenyl-2-ethyl-3-methylideneguanidine
PubChem CID144821632
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-ethenyl-2-ethyl-3-methylideneguanidine
SMILESC=CN/C(N=C)=N/CC
InChIInChI=1S/C6H11N3/c1-4-8-6(7-3)9-5-2/h4H,1,3,5H2,2H3,(H,8,9)
InChIKeyIKQKXSSRRAGLNP-UHFFFAOYSA-N
XLogP0.80
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.80
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-ethyl-3-methylideneguanidine?
The IUPAC name of 1-ethenyl-2-ethyl-3-methylideneguanidine (CID 144821632) is 1-ethenyl-2-ethyl-3-methylideneguanidine.
What is the SMILES notation for 1-ethenyl-2-ethyl-3-methylideneguanidine?
The canonical SMILES for 1-ethenyl-2-ethyl-3-methylideneguanidine is C=CN/C(N=C)=N/CC.
What is the InChIKey of 1-ethenyl-2-ethyl-3-methylideneguanidine?
The InChIKey is IKQKXSSRRAGLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-8-6(7-3)9-5-2/h4H,1,3,5H2,2H3,(H,8,9).
What are the key properties of 1-ethenyl-2-ethyl-3-methylideneguanidine?
1-ethenyl-2-ethyl-3-methylideneguanidine has a molecular weight of 125.17 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-ethyl-3-methylideneguanidine is sourced from PubChem (CID 144821632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).