2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide

C15H26IN3O3 — CID 111806555

IUPAC2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCCC/N=C(\N)NCCc1c(OC)cc(OC)cc1OC.I
InChIInChI=1S/C15H25N3O3.HI/c1-5-7-17-15(16)18-8-6-12-13(20-3)9-11(19-2)10-14(12)21-4;/h9-10H,5-8H2,1-4H3,(H3,16,17,18);1H
InChIKeyHMKQJFDMEKIJRS-UHFFFAOYSA-N
MW423.30 g/mol
LogP2.19
Rot. Bonds8

About 2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide

2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide (PubChem CID 111806555) has the molecular formula C15H26IN3O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is 2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
PubChem CID111806555
Molecular FormulaC15H26IN3O3
Molecular Weight423.30 g/mol
Exact Mass423.10
IUPAC Name2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCCC/N=C(\N)NCCc1c(OC)cc(OC)cc1OC.I
InChIInChI=1S/C15H25N3O3.HI/c1-5-7-17-15(16)18-8-6-12-13(20-3)9-11(19-2)10-14(12)21-4;/h9-10H,5-8H2,1-4H3,(H3,16,17,18);1H
InChIKeyHMKQJFDMEKIJRS-UHFFFAOYSA-N
XLogP2.19
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]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-hexyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine
CID 111806574
1-tert-butyl-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111806571
2-butyl-1-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111800539
1-[2-(2,6-dichlorophenyl)ethyl]-2-propylguanidine;hydroiodide
CID 111078654
2-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111023163
1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111806543
2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-hexylguanidine;hydroiodide
CID 111975538
1-(3,5-dimethylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine
CID 111806552
2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide
CID 111022345
1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111544660
1-ethyl-2-(3,3,3-trifluoropropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine
CID 109474675
1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine
CID 111818678

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide (CID 111806555) is 2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide is CCC/N=C(\N)NCCc1c(OC)cc(OC)cc1OC.I.
What is the InChIKey of 2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide?
The InChIKey is HMKQJFDMEKIJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3.HI/c1-5-7-17-15(16)18-8-6-12-13(20-3)9-11(19-2)10-14(12)21-4;/h9-10H,5-8H2,1-4H3,(H3,16,17,18);1H.
What are the key properties of 2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide?
2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide has a molecular weight of 423.30 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111806555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).