1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine

C14H25N3O — CID 111129563

IUPAC1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine
SMILESCCCCC/N=C(\NCC)NCCc1ccco1
InChIInChI=1S/C14H25N3O/c1-3-5-6-10-16-14(15-4-2)17-11-9-13-8-7-12-18-13/h7-8,12H,3-6,9-11H2,1-2H3,(H2,15,16,17)
InChIKeyUXEZLLNXAFXHJO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.57
Rot. Bonds8

About 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine

1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine (PubChem CID 111129563) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine
PubChem CID111129563
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine
SMILESCCCCC/N=C(\NCC)NCCc1ccco1
InChIInChI=1S/C14H25N3O/c1-3-5-6-10-16-14(15-4-2)17-11-9-13-8-7-12-18-13/h7-8,12H,3-6,9-11H2,1-2H3,(H2,15,16,17)
InChIKeyUXEZLLNXAFXHJO-UHFFFAOYSA-N
XLogP2.57
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide
CID 111765966
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111499619
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111355622
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 111355559
1-butyl-2-(4-ethoxybutyl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354955
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pent-3-enylguanidine
CID 111587903
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide
CID 111785670
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine
CID 111356396
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine
CID 111128283
ethyl 4-[[ethylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]butanoate;hydroiodide
CID 111356097
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-piperidin-1-ylethyl)guanidine
CID 111355676
1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354201

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine?
The IUPAC name of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine (CID 111129563) is 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine.
What is the SMILES notation for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine?
The canonical SMILES for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine is CCCCC/N=C(\NCC)NCCc1ccco1.
What is the InChIKey of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine?
The InChIKey is UXEZLLNXAFXHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-5-6-10-16-14(15-4-2)17-11-9-13-8-7-12-18-13/h7-8,12H,3-6,9-11H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine?
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine has a molecular weight of 251.37 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine is sourced from PubChem (CID 111129563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).