1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide

C19H31IN4O2 — CID 111341258

IUPAC1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCn1ccc2ccccc21)NCCOCCOC.I
InChIInChI=1S/C19H30N4O2.HI/c1-3-20-19(22-11-14-25-16-15-24-2)21-10-6-12-23-13-9-17-7-4-5-8-18(17)23;/h4-5,7-9,13H,3,6,10-12,14-16H2,1-2H3,(H2,20,21,22);1H
InChIKeyKLYRJXGQNPWBNH-UHFFFAOYSA-N
MW474.39 g/mol
LogP2.87
Rot. Bonds11

About 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide

1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide (PubChem CID 111341258) has the molecular formula C19H31IN4O2 and a molecular weight of 474.39 g/mol. Its IUPAC name is 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
PubChem CID111341258
Molecular FormulaC19H31IN4O2
Molecular Weight474.39 g/mol
Exact Mass474.15
IUPAC Name1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCn1ccc2ccccc21)NCCOCCOC.I
InChIInChI=1S/C19H30N4O2.HI/c1-3-20-19(22-11-14-25-16-15-24-2)21-10-6-12-23-13-9-17-7-4-5-8-18(17)23;/h4-5,7-9,13H,3,6,10-12,14-16H2,1-2H3,(H2,20,21,22);1H
InChIKeyKLYRJXGQNPWBNH-UHFFFAOYSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.39
LogP ≤ 52.87
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'}

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Related Compounds

1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-(3-indol-1-ylpropyl)guanidine;hydroiodide
CID 111341378
1-[2-(furan-2-yl)ethyl]-2-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)guanidine;hydroiodide
CID 111751140
1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-(3-indol-1-ylpropyl)guanidine
CID 111341379
N-[4-[2-[[N-ethyl-N'-(3-indol-1-ylpropyl)carbamimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111341582
1-ethyl-2-(3-indol-1-ylpropyl)-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111646379
methyl 3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111341614
1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine
CID 110941078
1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111341128
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide
CID 111830782
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111404627
2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111341954
3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111341271

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide (CID 111341258) is 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide is CCN/C(=N\CCCn1ccc2ccccc21)NCCOCCOC.I.
What is the InChIKey of 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide?
The InChIKey is KLYRJXGQNPWBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2.HI/c1-3-20-19(22-11-14-25-16-15-24-2)21-10-6-12-23-13-9-17-7-4-5-8-18(17)23;/h4-5,7-9,13H,3,6,10-12,14-16H2,1-2H3,(H2,20,21,22);1H.
What are the key properties of 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide?
1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide has a molecular weight of 474.39 g/mol, XLogP of 2.87, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111341258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).