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

C14H28IN5O2 — CID 111121565

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

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

1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;hydroiodide (PubChem CID 111121565) has the molecular formula C14H28IN5O2 and a molecular weight of 425.32 g/mol. Its IUPAC name is 1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;hydroiodide
PubChem CID111121565
Molecular FormulaC14H28IN5O2
Molecular Weight425.32 g/mol
Exact Mass425.13
IUPAC Name1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;hydroiodide
SMILESCCNC(=NCCCN1C(=O)NC(C)(CC)C1=O)NCC.I
InChIInChI=1S/C14H27N5O2.HI/c1-5-14(4)11(20)19(13(21)18-14)10-8-9-17-12(15-6-2)16-7-3;/h5-10H2,1-4H3,(H,18,21)(H2,15,16,17);1H
InChIKeyKKCDDUGFGSBRHU-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-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-prop-2-enylguanidine
CID 136926217
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-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide
CID 111785614
1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111782767
1-benzyl-3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-methylguanidine;hydroiodide
CID 111546096
N-ethyl-N'-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376781
1-benzyl-3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-methylguanidine
CID 111546097
3-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine
CID 109483373
2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine
CID 111804193
1-[3-(azepan-1-yl)propyl]-3-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine
CID 111785005
2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(3-ethylphenyl)guanidine
CID 111804185
1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111783478

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;hydroiodide (CID 111121565) is 1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;hydroiodide is CCNC(=NCCCN1C(=O)NC(C)(CC)C1=O)NCC.I.
What is the InChIKey of 1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;hydroiodide?
The InChIKey is KKCDDUGFGSBRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2.HI/c1-5-14(4)11(20)19(13(21)18-14)10-8-9-17-12(15-6-2)16-7-3;/h5-10H2,1-4H3,(H,18,21)(H2,15,16,17);1H.
What are the key properties of 1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;hydroiodide?
1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;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-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111121565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).