1-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine

C13H23N5O2 — CID 111826650

IUPAC1-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCN1C(=O)CNC1=O)NC1CCCC1
InChIInChI=1S/C13H23N5O2/c1-2-14-12(17-10-5-3-4-6-10)15-7-8-18-11(19)9-16-13(18)20/h10H,2-9H2,1H3,(H,16,20)(H2,14,15,17)
InChIKeyQAZOCNKFNOUPPS-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.04
Rot. Bonds5

About 1-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine

1-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine (PubChem CID 111826650) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine
PubChem CID111826650
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCN1C(=O)CNC1=O)NC1CCCC1
InChIInChI=1S/C13H23N5O2/c1-2-14-12(17-10-5-3-4-6-10)15-7-8-18-11(19)9-16-13(18)20/h10H,2-9H2,1H3,(H,16,20)(H2,14,15,17)
InChIKeyQAZOCNKFNOUPPS-UHFFFAOYSA-N
XLogP0.04
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111829030
2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111827930
1-cyclohexyl-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110959024
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
CID 111826339
1-cyclopentyl-3-ethyl-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]guanidine
CID 111771248
1-cyclopentyl-2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 110991022
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine
CID 110991931
2-[2-(cyclohexen-1-yl)ethyl]-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111828774
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110991930
1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 110990839
1-cyclohexyl-3-ethyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine
CID 110958793
1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110958682

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine (CID 111826650) is 1-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine is CCN/C(=N\CCN1C(=O)CNC1=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine?
The InChIKey is QAZOCNKFNOUPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-2-14-12(17-10-5-3-4-6-10)15-7-8-18-11(19)9-16-13(18)20/h10H,2-9H2,1H3,(H,16,20)(H2,14,15,17).
What are the key properties of 1-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine?
1-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine has a molecular weight of 281.36 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine is sourced from PubChem (CID 111826650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).