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

C16H30IN5O2 — CID 109483572

IUPAC2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CCN1C(=O)CNC1=O)NCC.I
InChIInChI=1S/C16H29N5O2.HI/c1-4-6-7-8-9-11-20(3)15(17-5-2)18-10-12-21-14(22)13-19-16(21)23;/h4H,1,5-13H2,2-3H3,(H,17,18)(H,19,23);1H
InChIKeyWNKOLPLKAXTDSI-UHFFFAOYSA-N
MW451.35 g/mol
LogP1.80
Rot. Bonds10

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

2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide (PubChem CID 109483572) has the molecular formula C16H30IN5O2 and a molecular weight of 451.35 g/mol. Its IUPAC name is 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
PubChem CID109483572
Molecular FormulaC16H30IN5O2
Molecular Weight451.35 g/mol
Exact Mass451.14
IUPAC Name2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CCN1C(=O)CNC1=O)NCC.I
InChIInChI=1S/C16H29N5O2.HI/c1-4-6-7-8-9-11-20(3)15(17-5-2)18-10-12-21-14(22)13-19-16(21)23;/h4H,1,5-13H2,2-3H3,(H,17,18)(H,19,23);1H
InChIKeyWNKOLPLKAXTDSI-UHFFFAOYSA-N
XLogP1.80
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 51.80
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 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;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

N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide
CID 109482960
N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide
CID 109482980
N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide
CID 109482981
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
N-ethyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide
CID 109483236
N-ethyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide
CID 109483237
2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide
CID 109483238
2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide
CID 109483239

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The IUPAC name of 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide (CID 109483572) is 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N/CCN1C(=O)CNC1=O)NCC.I.
What is the InChIKey of 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The InChIKey is WNKOLPLKAXTDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2.HI/c1-4-6-7-8-9-11-20(3)15(17-5-2)18-10-12-21-14(22)13-19-16(21)23;/h4H,1,5-13H2,2-3H3,(H,17,18)(H,19,23);1H.
What are the key properties of 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide has a molecular weight of 451.35 g/mol, XLogP of 1.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide is sourced from PubChem (CID 109483572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).