1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide

C14H28IN5O2 — CID 111782767

IUPAC1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCCCN1C(=O)NC(C)(CC)C1=O.I
InChIInChI=1S/C14H27N5O2.HI/c1-5-8-16-12(15-4)17-9-7-10-19-11(20)14(3,6-2)18-13(19)21;/h5-10H2,1-4H3,(H,18,21)(H2,15,16,17);1H
InChIKeyYVZUPIOQILTVFP-UHFFFAOYSA-N
MW425.32 g/mol
LogP1.29
Rot. Bonds7

About 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide

1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide (PubChem CID 111782767) has the molecular formula C14H28IN5O2 and a molecular weight of 425.32 g/mol. Its IUPAC name is 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide
PubChem CID111782767
Molecular FormulaC14H28IN5O2
Molecular Weight425.32 g/mol
Exact Mass425.13
IUPAC Name1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCCCN1C(=O)NC(C)(CC)C1=O.I
InChIInChI=1S/C14H27N5O2.HI/c1-5-8-16-12(15-4)17-9-7-10-19-11(20)14(3,6-2)18-13(19)21;/h5-10H2,1-4H3,(H,18,21)(H2,15,16,17);1H
InChIKeyYVZUPIOQILTVFP-UHFFFAOYSA-N
XLogP1.29
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 51.29
H-Bond Donors ≤ 53
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

1-[3-(azepan-1-yl)propyl]-3-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine
CID 111785005
1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111783478
1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111783692
1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;hydroiodide
CID 111121565
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine
CID 111785203
N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109379216
1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide
CID 111782092
1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-prop-2-enylguanidine
CID 136926217
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
CID 63577196
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107319254
3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 75374277
3-chloro-5-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propylamino]-1,2-thiazole-4-carbonitrile
CID 75371023

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide?
The IUPAC name of 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide (CID 111782767) is 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide.
What is the SMILES notation for 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide?
The canonical SMILES for 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide is CCCN/C(=N\C)NCCCN1C(=O)NC(C)(CC)C1=O.I.
What is the InChIKey of 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide?
The InChIKey is YVZUPIOQILTVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2.HI/c1-5-8-16-12(15-4)17-9-7-10-19-11(20)14(3,6-2)18-13(19)21;/h5-10H2,1-4H3,(H,18,21)(H2,15,16,17);1H.
What are the key properties of 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide?
1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide has a molecular weight of 425.32 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide is sourced from PubChem (CID 111782767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).