1-ethyl-2-(3-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide

C16H33IN6O — CID 111652093

IUPAC1-ethyl-2-(3-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCn1ccnc1)NCCN(C)CCCOC.I
InChIInChI=1S/C16H32N6O.HI/c1-4-18-16(19-7-5-11-22-13-8-17-15-22)20-9-12-21(2)10-6-14-23-3;/h8,13,15H,4-7,9-12,14H2,1-3H3,(H2,18,19,20);1H
InChIKeyKFCDESLLIUZANN-UHFFFAOYSA-N
MW452.39 g/mol
LogP1.41
Rot. Bonds12

About 1-ethyl-2-(3-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide

1-ethyl-2-(3-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide (PubChem CID 111652093) has the molecular formula C16H33IN6O and a molecular weight of 452.39 g/mol. Its IUPAC name is 1-ethyl-2-(3-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(3-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
PubChem CID111652093
Molecular FormulaC16H33IN6O
Molecular Weight452.39 g/mol
Exact Mass452.18
IUPAC Name1-ethyl-2-(3-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCn1ccnc1)NCCN(C)CCCOC.I
InChIInChI=1S/C16H32N6O.HI/c1-4-18-16(19-7-5-11-22-13-8-17-15-22)20-9-12-21(2)10-6-14-23-3;/h8,13,15H,4-7,9-12,14H2,1-3H3,(H2,18,19,20);1H
InChIKeyKFCDESLLIUZANN-UHFFFAOYSA-N
XLogP1.41
TPSA66.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]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

1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110975814
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652560
1-ethyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111906334
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111652857
1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine
CID 111228481
1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111160602
2-(4-ethoxybutyl)-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652936
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]guanidine;hydroiodide
CID 111988300
2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652578
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111651500
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-(3-imidazol-1-ylpropyl)guanidine
CID 111393055
1-ethyl-3-(2-imidazol-1-ylethyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111401338

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(3-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide (CID 111652093) is 1-ethyl-2-(3-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(3-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(3-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide is CCN/C(=N\CCCn1ccnc1)NCCN(C)CCCOC.I.
What is the InChIKey of 1-ethyl-2-(3-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide?
The InChIKey is KFCDESLLIUZANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N6O.HI/c1-4-18-16(19-7-5-11-22-13-8-17-15-22)20-9-12-21(2)10-6-14-23-3;/h8,13,15H,4-7,9-12,14H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 1-ethyl-2-(3-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide?
1-ethyl-2-(3-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide has a molecular weight of 452.39 g/mol, XLogP of 1.41, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111652093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).