3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide

C15H28IN5O2 — CID 109483074

IUPAC3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCCN1C(=O)CNC1=O.I
InChIInChI=1S/C15H27N5O2.HI/c1-4-5-6-7-8-10-19(3)14(16-2)17-9-11-20-13(21)12-18-15(20)22;/h4H,1,5-12H2,2-3H3,(H,16,17)(H,18,22);1H
InChIKeyJONPYHUYYJITAL-UHFFFAOYSA-N
MW437.33 g/mol
LogP1.41
Rot. Bonds9

About 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide

3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide (PubChem CID 109483074) has the molecular formula C15H28IN5O2 and a molecular weight of 437.33 g/mol. Its IUPAC name is 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
PubChem CID109483074
Molecular FormulaC15H28IN5O2
Molecular Weight437.33 g/mol
Exact Mass437.13
IUPAC Name3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCCN1C(=O)CNC1=O.I
InChIInChI=1S/C15H27N5O2.HI/c1-4-5-6-7-8-10-19(3)14(16-2)17-9-11-20-13(21)12-18-15(20)22;/h4H,1,5-12H2,2-3H3,(H,16,17)(H,18,22);1H
InChIKeyJONPYHUYYJITAL-UHFFFAOYSA-N
XLogP1.41
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The IUPAC name of 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide (CID 109483074) is 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide.
What is the SMILES notation for 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The canonical SMILES for 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N\C)NCCN1C(=O)CNC1=O.I.
What is the InChIKey of 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The InChIKey is JONPYHUYYJITAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2.HI/c1-4-5-6-7-8-10-19(3)14(16-2)17-9-11-20-13(21)12-18-15(20)22;/h4H,1,5-12H2,2-3H3,(H,16,17)(H,18,22);1H.
What are the key properties of 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide has a molecular weight of 437.33 g/mol, XLogP of 1.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide is sourced from PubChem (CID 109483074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).