2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-ethyl-3-octan-2-ylguanidine

C18H34N4O2 — CID 111500405

IUPAC2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-ethyl-3-octan-2-ylguanidine
SMILESCCCCCCC(C)N/C(=N/CCN1C(=O)CCCC1=O)NCC
InChIInChI=1S/C18H34N4O2/c1-4-6-7-8-10-15(3)21-18(19-5-2)20-13-14-22-16(23)11-9-12-17(22)24/h15H,4-14H2,1-3H3,(H2,19,20,21)
InChIKeyUWXQJANVQHBIFY-UHFFFAOYSA-N
MW338.50 g/mol
LogP2.44
Rot. Bonds10

About 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-ethyl-3-octan-2-ylguanidine

2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-ethyl-3-octan-2-ylguanidine (PubChem CID 111500405) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-ethyl-3-octan-2-ylguanidine.

Molecular Properties

Compound Name2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-ethyl-3-octan-2-ylguanidine
PubChem CID111500405
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-ethyl-3-octan-2-ylguanidine
SMILESCCCCCCC(C)N/C(=N/CCN1C(=O)CCCC1=O)NCC
InChIInChI=1S/C18H34N4O2/c1-4-6-7-8-10-15(3)21-18(19-5-2)20-13-14-22-16(23)11-9-12-17(22)24/h15H,4-14H2,1-3H3,(H2,19,20,21)
InChIKeyUWXQJANVQHBIFY-UHFFFAOYSA-N
XLogP2.44
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-octan-2-yl-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111212288
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-3-octan-2-ylguanidine
CID 111212487
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-octan-2-ylguanidine;hydroiodide
CID 111212512
1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-octan-2-ylguanidine
CID 111212645
1-ethyl-3-heptan-2-yl-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111195219
1-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-3-octan-2-ylguanidine
CID 111212981
1-ethyl-3-octan-2-yl-2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111212240
1-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-3-octan-2-ylguanidine;hydroiodide
CID 111212980
1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide
CID 111782092
1-[1-(2-chlorophenyl)ethyl]-2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111500928
2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N-propylacetamide
CID 111212817
1-[4-[[ethylamino-(octan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide
CID 111212381

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-ethyl-3-octan-2-ylguanidine?
The IUPAC name of 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-ethyl-3-octan-2-ylguanidine (CID 111500405) is 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-ethyl-3-octan-2-ylguanidine.
What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-ethyl-3-octan-2-ylguanidine?
The canonical SMILES for 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-ethyl-3-octan-2-ylguanidine is CCCCCCC(C)N/C(=N/CCN1C(=O)CCCC1=O)NCC.
What is the InChIKey of 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-ethyl-3-octan-2-ylguanidine?
The InChIKey is UWXQJANVQHBIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-4-6-7-8-10-15(3)21-18(19-5-2)20-13-14-22-16(23)11-9-12-17(22)24/h15H,4-14H2,1-3H3,(H2,19,20,21).
What are the key properties of 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-ethyl-3-octan-2-ylguanidine?
2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-ethyl-3-octan-2-ylguanidine has a molecular weight of 338.50 g/mol, XLogP of 2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-ethyl-3-octan-2-ylguanidine is sourced from PubChem (CID 111500405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).