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

C11H24IN3O2 — CID 136700145

IUPAC2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CCCCOCCOC.I
InChIInChI=1S/C11H23N3O2.HI/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);1H
InChIKeyJMQSMTLRXYGVQN-UHFFFAOYSA-N
MW357.24 g/mol
LogP1.14
Rot. Bonds10

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

2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine;hydroiodide (PubChem CID 136700145) has the molecular formula C11H24IN3O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine;hydroiodide
PubChem CID136700145
Molecular FormulaC11H24IN3O2
Molecular Weight357.24 g/mol
Exact Mass357.09
IUPAC Name2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CCCCOCCOC.I
InChIInChI=1S/C11H23N3O2.HI/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);1H
InChIKeyJMQSMTLRXYGVQN-UHFFFAOYSA-N
XLogP1.14
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 51.14
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'}

Analyze 2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine;hydroiodide 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-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine;hydroiodide (CID 136700145) is 2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine;hydroiodide is C=CCN/C(N)=N/CCCCOCCOC.I.
What is the InChIKey of 2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine;hydroiodide?
The InChIKey is JMQSMTLRXYGVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2.HI/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);1H.
What are the key properties of 2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine;hydroiodide?
2-[4-(2-methoxyethoxy)butyl]-1-prop-2-enylguanidine;hydroiodide has a molecular weight of 357.24 g/mol, XLogP of 1.14, 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;hydroiodide is sourced from PubChem (CID 136700145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).