2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine

C11H23N3O2 — CID 136700146

IUPAC2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCCCOCCOC
InChIInChI=1S/C11H23N3O2/c1-3-6-13-11(12)14-7-4-5-8-16-10-9-15-2/h3H,1,4-10H2,2H3,(H3,12,13,14)
InChIKeyODIYNZLUXZBRAI-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.52
Rot. Bonds10

About 2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine

2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine (PubChem CID 136700146) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine
PubChem CID136700146
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCCCOCCOC
InChIInChI=1S/C11H23N3O2/c1-3-6-13-11(12)14-7-4-5-8-16-10-9-15-2/h3H,1,4-10H2,2H3,(H3,12,13,14)
InChIKeyODIYNZLUXZBRAI-UHFFFAOYSA-N
XLogP0.52
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine?
The IUPAC name of 2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine (CID 136700146) is 2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine?
The canonical SMILES for 2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine is C=CCN/C(N)=N/CCCCOCCOC.
What is the InChIKey of 2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine?
The InChIKey is ODIYNZLUXZBRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-6-13-11(12)14-7-4-5-8-16-10-9-15-2/h3H,1,4-10H2,2H3,(H3,12,13,14).
What are the key properties of 2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine?
2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine has a molecular weight of 229.32 g/mol, XLogP of 0.52, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine is sourced from PubChem (CID 136700146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).