2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine

C9H19N3O2 — CID 136700154

IUPAC2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCOCCOC
InChIInChI=1S/C9H19N3O2/c1-3-4-11-9(10)12-5-6-14-8-7-13-2/h3H,1,4-8H2,2H3,(H3,10,11,12)
InChIKeyMHTJCINUFGLPIO-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.26
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine

2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine (PubChem CID 136700154) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine
PubChem CID136700154
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCOCCOC
InChIInChI=1S/C9H19N3O2/c1-3-4-11-9(10)12-5-6-14-8-7-13-2/h3H,1,4-8H2,2H3,(H3,10,11,12)
InChIKeyMHTJCINUFGLPIO-UHFFFAOYSA-N
XLogP-0.26
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.26
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'}

Analyze 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine 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 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine (CID 136700154) is 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine is C=CCN/C(N)=N/CCOCCOC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine?
The InChIKey is MHTJCINUFGLPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-3-4-11-9(10)12-5-6-14-8-7-13-2/h3H,1,4-8H2,2H3,(H3,10,11,12).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine?
2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine has a molecular weight of 201.27 g/mol, XLogP of -0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine is sourced from PubChem (CID 136700154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).