2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide

C14H32IN3O — CID 111161864

IUPAC2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide
SMILESCCCCCCN/C(=N/CCCOCC)NCC.I
InChIInChI=1S/C14H31N3O.HI/c1-4-7-8-9-11-16-14(15-5-2)17-12-10-13-18-6-3;/h4-13H2,1-3H3,(H2,15,16,17);1H
InChIKeyKZLQQDXIWNGNTK-UHFFFAOYSA-N
MW385.33 g/mol
LogP3.17
Rot. Bonds11

About 2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide

2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide (PubChem CID 111161864) has the molecular formula C14H32IN3O and a molecular weight of 385.33 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide
PubChem CID111161864
Molecular FormulaC14H32IN3O
Molecular Weight385.33 g/mol
Exact Mass385.16
IUPAC Name2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide
SMILESCCCCCCN/C(=N/CCCOCC)NCC.I
InChIInChI=1S/C14H31N3O.HI/c1-4-7-8-9-11-16-14(15-5-2)17-12-10-13-18-6-3;/h4-13H2,1-3H3,(H2,15,16,17);1H
InChIKeyKZLQQDXIWNGNTK-UHFFFAOYSA-N
XLogP3.17
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;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-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224057
1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine
CID 111224259
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-pentylguanidine
CID 111129521
2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110940605
1-ethyl-3-hexyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111160875
2-(4-ethoxybutyl)-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896119
2-(3-ethoxypropyl)-1-ethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine;hydroiodide
CID 111222196
2-[7-(dimethylamino)heptyl]-1-(4-ethoxybutyl)-3-ethylguanidine
CID 111944857
2-(4-ethoxybutyl)-1-ethyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111628545
1-(3-butoxypropyl)-3-ethyl-2-propylguanidine;hydroiodide
CID 111226433
1-ethyl-3-hexyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111161880
1,2,3-trihexylguanidine
CID 173050322

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide?
The IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide (CID 111161864) is 2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide.
What is the SMILES notation for 2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide?
The canonical SMILES for 2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide is CCCCCCN/C(=N/CCCOCC)NCC.I.
What is the InChIKey of 2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide?
The InChIKey is KZLQQDXIWNGNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O.HI/c1-4-7-8-9-11-16-14(15-5-2)17-12-10-13-18-6-3;/h4-13H2,1-3H3,(H2,15,16,17);1H.
What are the key properties of 2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide?
2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide has a molecular weight of 385.33 g/mol, XLogP of 3.17, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide is sourced from PubChem (CID 111161864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).