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

C11H22IN5O2 — CID 111121567

IUPAC1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine;hydroiodide
SMILESCCC1(C)NC(=O)N(CCCN/C(N)=N/C)C1=O.I
InChIInChI=1S/C11H21N5O2.HI/c1-4-11(2)8(17)16(10(18)15-11)7-5-6-14-9(12)13-3;/h4-7H2,1-3H3,(H,15,18)(H3,12,13,14);1H
InChIKeyHQGFBCOJBRYDHN-UHFFFAOYSA-N
MW383.23 g/mol
LogP0.25
Rot. Bonds5

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

1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine;hydroiodide (PubChem CID 111121567) has the molecular formula C11H22IN5O2 and a molecular weight of 383.23 g/mol. Its IUPAC name is 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine;hydroiodide
PubChem CID111121567
Molecular FormulaC11H22IN5O2
Molecular Weight383.23 g/mol
Exact Mass383.08
IUPAC Name1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine;hydroiodide
SMILESCCC1(C)NC(=O)N(CCCN/C(N)=N/C)C1=O.I
InChIInChI=1S/C11H21N5O2.HI/c1-4-11(2)8(17)16(10(18)15-11)7-5-6-14-9(12)13-3;/h4-7H2,1-3H3,(H,15,18)(H3,12,13,14);1H
InChIKeyHQGFBCOJBRYDHN-UHFFFAOYSA-N
XLogP0.25
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 50.25
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-methylguanidine;hydroiodide?
The IUPAC name of 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine;hydroiodide (CID 111121567) is 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine;hydroiodide is CCC1(C)NC(=O)N(CCCN/C(N)=N/C)C1=O.I.
What is the InChIKey of 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine;hydroiodide?
The InChIKey is HQGFBCOJBRYDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2.HI/c1-4-11(2)8(17)16(10(18)15-11)7-5-6-14-9(12)13-3;/h4-7H2,1-3H3,(H,15,18)(H3,12,13,14);1H.
What are the key properties of 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine;hydroiodide?
1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine;hydroiodide has a molecular weight of 383.23 g/mol, XLogP of 0.25, 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-methylguanidine;hydroiodide is sourced from PubChem (CID 111121567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).