3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine;hydroiodide

C20H38IN5O2 — CID 109483372

IUPAC3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CCCN1C(=O)NC(C)(CC)C1=O)NCC.I
InChIInChI=1S/C20H37N5O2.HI/c1-6-9-10-11-12-15-24(5)18(21-8-3)22-14-13-16-25-17(26)20(4,7-2)23-19(25)27;/h6H,1,7-16H2,2-5H3,(H,21,22)(H,23,27);1H
InChIKeyFDOLBNMUNMCJCD-UHFFFAOYSA-N
MW507.46 g/mol
LogP3.36
Rot. Bonds12

About 3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine;hydroiodide

3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine;hydroiodide (PubChem CID 109483372) has the molecular formula C20H38IN5O2 and a molecular weight of 507.46 g/mol. Its IUPAC name is 3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine;hydroiodide
PubChem CID109483372
Molecular FormulaC20H38IN5O2
Molecular Weight507.46 g/mol
Exact Mass507.21
IUPAC Name3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CCCN1C(=O)NC(C)(CC)C1=O)NCC.I
InChIInChI=1S/C20H37N5O2.HI/c1-6-9-10-11-12-15-24(5)18(21-8-3)22-14-13-16-25-17(26)20(4,7-2)23-19(25)27;/h6H,1,7-16H2,2-5H3,(H,21,22)(H,23,27);1H
InChIKeyFDOLBNMUNMCJCD-UHFFFAOYSA-N
XLogP3.36
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.46
LogP ≤ 53.36
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'}

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Related Compounds

N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide
CID 109482960
N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide
CID 109482961
N-tert-butyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide
CID 109483006
3-Ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 109483030
3-Ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 109483031
3-[2-(2,5-Dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483074
3-[2-(2,5-Dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483075
1-[3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
CID 109483228
1-[3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 109483229
3-Ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide
CID 109483242
3-Ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine
CID 109483373
2-[2-(2,5-Dioxoimidazolidin-1-yl)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109483572

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The IUPAC name of 3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine;hydroiodide (CID 109483372) is 3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine;hydroiodide.
What is the SMILES notation for 3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The canonical SMILES for 3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N/CCCN1C(=O)NC(C)(CC)C1=O)NCC.I.
What is the InChIKey of 3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The InChIKey is FDOLBNMUNMCJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O2.HI/c1-6-9-10-11-12-15-24(5)18(21-8-3)22-14-13-16-25-17(26)20(4,7-2)23-19(25)27;/h6H,1,7-16H2,2-5H3,(H,21,22)(H,23,27);1H.
What are the key properties of 3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine;hydroiodide?
3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine;hydroiodide has a molecular weight of 507.46 g/mol, XLogP of 3.36, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine;hydroiodide is sourced from PubChem (CID 109483372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).