1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide

C15H34IN5O — CID 111070337

IUPAC1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
SMILESCCOCCCN/C(N)=N/CC(C)CN1CCN(C)CC1.I
InChIInChI=1S/C15H33N5O.HI/c1-4-21-11-5-6-17-15(16)18-12-14(2)13-20-9-7-19(3)8-10-20;/h14H,4-13H2,1-3H3,(H3,16,17,18);1H
InChIKeyQZRIHXFIVAXEPI-UHFFFAOYSA-N
MW427.38 g/mol
LogP0.82
Rot. Bonds9

About 1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide

1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide (PubChem CID 111070337) has the molecular formula C15H34IN5O and a molecular weight of 427.38 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
PubChem CID111070337
Molecular FormulaC15H34IN5O
Molecular Weight427.38 g/mol
Exact Mass427.18
IUPAC Name1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
SMILESCCOCCCN/C(N)=N/CC(C)CN1CCN(C)CC1.I
InChIInChI=1S/C15H33N5O.HI/c1-4-21-11-5-6-17-15(16)18-12-14(2)13-20-9-7-19(3)8-10-20;/h14H,4-13H2,1-3H3,(H3,16,17,18);1H
InChIKeyQZRIHXFIVAXEPI-UHFFFAOYSA-N
XLogP0.82
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 50.82
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-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)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

2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide
CID 111070313
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-octylguanidine;hydroiodide
CID 111070427
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110927369
1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111070321
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111070331
2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide
CID 111802229
1-(3-ethoxypropyl)-2-[(2S)-2-(4-methylpiperidin-1-yl)propyl]guanidine
CID 95333142
1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111070322
1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylpropyl)guanidine
CID 111070318
ethyl 4-[[N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111070356
1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 62991694
1-(3-ethoxypropyl)-2-[2-(2-hydroxyethyl)-4-methylpentyl]guanidine;hydroiodide
CID 111714833

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide (CID 111070337) is 1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide is CCOCCCN/C(N)=N/CC(C)CN1CCN(C)CC1.I.
What is the InChIKey of 1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide?
The InChIKey is QZRIHXFIVAXEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N5O.HI/c1-4-21-11-5-6-17-15(16)18-12-14(2)13-20-9-7-19(3)8-10-20;/h14H,4-13H2,1-3H3,(H3,16,17,18);1H.
What are the key properties of 1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide?
1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 427.38 g/mol, XLogP of 0.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111070337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).