2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine;hydroiodide

C10H22IN3O2 — CID 136678004

IUPAC2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CCCOCCOC.I
InChIInChI=1S/C10H21N3O2.HI/c1-3-5-12-10(11)13-6-4-7-15-9-8-14-2;/h3H,1,4-9H2,2H3,(H3,11,12,13);1H
InChIKeyOOXMIUQPTBLPAM-UHFFFAOYSA-N
MW343.21 g/mol
LogP0.75
Rot. Bonds9

About 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine;hydroiodide

2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine;hydroiodide (PubChem CID 136678004) has the molecular formula C10H22IN3O2 and a molecular weight of 343.21 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine;hydroiodide
PubChem CID136678004
Molecular FormulaC10H22IN3O2
Molecular Weight343.21 g/mol
Exact Mass343.08
IUPAC Name2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CCCOCCOC.I
InChIInChI=1S/C10H21N3O2.HI/c1-3-5-12-10(11)13-6-4-7-15-9-8-14-2;/h3H,1,4-9H2,2H3,(H3,11,12,13);1H
InChIKeyOOXMIUQPTBLPAM-UHFFFAOYSA-N
XLogP0.75
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 50.75
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-[3-(2-methoxyethoxy)propyl]-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

Related Compounds

1-Prop-2-enyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 136700093
1-Ethyl-3-prop-2-enyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 136925491
N'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide
CID 137100325
1-[2-(2-Methoxyethoxy)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 53619119
3-[3-(2-Methoxyethoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109497695
3-Ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109497697
2-Methyl-1-[3-(oxolan-3-yloxy)propyl]-3-prop-2-enylguanidine;hydroiodide
CID 109676478
2-Methyl-1-[3-(oxolan-3-yloxy)propyl]-3-prop-2-enylguanidine
CID 109676479
1-[2-(2-Methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110980342
1-[2-(2-Methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine
CID 110980343
1-(3-Butoxypropyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110981502
1-(3-Butoxypropyl)-2-methyl-3-prop-2-enylguanidine
CID 110981503

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine;hydroiodide (CID 136678004) is 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine;hydroiodide is C=CCN/C(N)=N/CCCOCCOC.I.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine;hydroiodide?
The InChIKey is OOXMIUQPTBLPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2.HI/c1-3-5-12-10(11)13-6-4-7-15-9-8-14-2;/h3H,1,4-9H2,2H3,(H3,11,12,13);1H.
What are the key properties of 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine;hydroiodide?
2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine;hydroiodide has a molecular weight of 343.21 g/mol, XLogP of 0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 136678004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).