1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide

C22H38IN3O3 — CID 111579470

IUPAC1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCOCCOC)NCCCOC1CCCc2ccccc21.I
InChIInChI=1S/C22H37N3O3.HI/c1-3-23-22(24-13-7-15-27-18-17-26-2)25-14-8-16-28-21-12-6-10-19-9-4-5-11-20(19)21;/h4-5,9,11,21H,3,6-8,10,12-18H2,1-2H3,(H2,23,24,25);1H
InChIKeyCBAJRUJDPSZHPA-UHFFFAOYSA-N
MW519.47 g/mol
LogP3.70
Rot. Bonds13

About 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide

1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide (PubChem CID 111579470) has the molecular formula C22H38IN3O3 and a molecular weight of 519.47 g/mol. Its IUPAC name is 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide
PubChem CID111579470
Molecular FormulaC22H38IN3O3
Molecular Weight519.47 g/mol
Exact Mass519.20
IUPAC Name1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCOCCOC)NCCCOC1CCCc2ccccc21.I
InChIInChI=1S/C22H37N3O3.HI/c1-3-23-22(24-13-7-15-27-18-17-26-2)25-14-8-16-28-21-12-6-10-19-9-4-5-11-20(19)21;/h4-5,9,11,21H,3,6-8,10,12-18H2,1-2H3,(H2,23,24,25);1H
InChIKeyCBAJRUJDPSZHPA-UHFFFAOYSA-N
XLogP3.70
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;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-cyclopropyl-3-ethyl-2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
CID 111579485
2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
CID 95378094
2-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111558906
2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
CID 111792021
2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111397135
1-ethyl-3-[4-(2-methoxyethoxy)butyl]-2-(3-phenoxypropyl)guanidine
CID 111418357
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 111407100
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine
CID 111404809
2-amino-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide;hydrochloride
CID 119325756
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111405667
2-(2-methylprop-2-enyl)-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide
CID 111579478
1-[2-(2,6-dimethylphenoxy)ethyl]-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111404214

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide (CID 111579470) is 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide is CCN/C(=N\CCCOCCOC)NCCCOC1CCCc2ccccc21.I.
What is the InChIKey of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide?
The InChIKey is CBAJRUJDPSZHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3.HI/c1-3-23-22(24-13-7-15-27-18-17-26-2)25-14-8-16-28-21-12-6-10-19-9-4-5-11-20(19)21;/h4-5,9,11,21H,3,6-8,10,12-18H2,1-2H3,(H2,23,24,25);1H.
What are the key properties of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide?
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide has a molecular weight of 519.47 g/mol, XLogP of 3.70, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111579470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).