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

C9H20IN3O2 — CID 136700153

IUPAC2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CCOCCOC.I
InChIInChI=1S/C9H19N3O2.HI/c1-3-4-11-9(10)12-5-6-14-8-7-13-2;/h3H,1,4-8H2,2H3,(H3,10,11,12);1H
InChIKeyPKRLXAMFUJESBI-UHFFFAOYSA-N
MW329.18 g/mol
LogP0.36
Rot. Bonds8

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

2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine;hydroiodide (PubChem CID 136700153) has the molecular formula C9H20IN3O2 and a molecular weight of 329.18 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine;hydroiodide
PubChem CID136700153
Molecular FormulaC9H20IN3O2
Molecular Weight329.18 g/mol
Exact Mass329.06
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CCOCCOC.I
InChIInChI=1S/C9H19N3O2.HI/c1-3-4-11-9(10)12-5-6-14-8-7-13-2;/h3H,1,4-8H2,2H3,(H3,10,11,12);1H
InChIKeyPKRLXAMFUJESBI-UHFFFAOYSA-N
XLogP0.36
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 50.36
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine;hydroiodide (CID 136700153) is 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine;hydroiodide is C=CCN/C(N)=N/CCOCCOC.I.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine;hydroiodide?
The InChIKey is PKRLXAMFUJESBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2.HI/c1-3-4-11-9(10)12-5-6-14-8-7-13-2;/h3H,1,4-8H2,2H3,(H3,10,11,12);1H.
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine;hydroiodide?
2-[2-(2-methoxyethoxy)ethyl]-1-prop-2-enylguanidine;hydroiodide has a molecular weight of 329.18 g/mol, XLogP of 0.36, 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;hydroiodide is sourced from PubChem (CID 136700153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).