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

C12H24IN5O2 — CID 111121563

IUPAC1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine;hydroiodide
SMILESCCC1(C)NC(=O)N(CCCN/C(=N/C)NC)C1=O.I
InChIInChI=1S/C12H23N5O2.HI/c1-5-12(2)9(18)17(11(19)16-12)8-6-7-15-10(13-3)14-4;/h5-8H2,1-4H3,(H,16,19)(H2,13,14,15);1H
InChIKeyNJEONBKUPMBLDN-UHFFFAOYSA-N
MW397.26 g/mol
LogP0.51
Rot. Bonds5

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

1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine;hydroiodide (PubChem CID 111121563) has the molecular formula C12H24IN5O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine;hydroiodide
PubChem CID111121563
Molecular FormulaC12H24IN5O2
Molecular Weight397.26 g/mol
Exact Mass397.10
IUPAC Name1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine;hydroiodide
SMILESCCC1(C)NC(=O)N(CCCN/C(=N/C)NC)C1=O.I
InChIInChI=1S/C12H23N5O2.HI/c1-5-12(2)9(18)17(11(19)16-12)8-6-7-15-10(13-3)14-4;/h5-8H2,1-4H3,(H,16,19)(H2,13,14,15);1H
InChIKeyNJEONBKUPMBLDN-UHFFFAOYSA-N
XLogP0.51
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 50.51
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine;hydroiodide (CID 111121563) is 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine;hydroiodide is CCC1(C)NC(=O)N(CCCN/C(=N/C)NC)C1=O.I.
What is the InChIKey of 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine;hydroiodide?
The InChIKey is NJEONBKUPMBLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2.HI/c1-5-12(2)9(18)17(11(19)16-12)8-6-7-15-10(13-3)14-4;/h5-8H2,1-4H3,(H,16,19)(H2,13,14,15);1H.
What are the key properties of 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine;hydroiodide?
1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine;hydroiodide has a molecular weight of 397.26 g/mol, XLogP of 0.51, 5 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]-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 111121563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).