1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pent-3-enylguanidine

C14H23N3O — CID 111587903

IUPAC1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pent-3-enylguanidine
SMILESCC=CCC/N=C(\NCC)NCCc1ccco1
InChIInChI=1S/C14H23N3O/c1-3-5-6-10-16-14(15-4-2)17-11-9-13-8-7-12-18-13/h3,5,7-8,12H,4,6,9-11H2,1-2H3,(H2,15,16,17)
InChIKeyMTCQGELJOJYOJH-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.34
Rot. Bonds7

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

1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pent-3-enylguanidine (PubChem CID 111587903) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pent-3-enylguanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pent-3-enylguanidine
PubChem CID111587903
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pent-3-enylguanidine
SMILESCC=CCC/N=C(\NCC)NCCc1ccco1
InChIInChI=1S/C14H23N3O/c1-3-5-6-10-16-14(15-4-2)17-11-9-13-8-7-12-18-13/h3,5,7-8,12H,4,6,9-11H2,1-2H3,(H2,15,16,17)
InChIKeyMTCQGELJOJYOJH-UHFFFAOYSA-N
XLogP2.34
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.34
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine
CID 111129563
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111499619
2-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111354200
1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354201
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-piperidin-1-ylethyl)guanidine
CID 111355676
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111355524
2-(2-tert-butylsulfinylethyl)-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111831066
ethyl 4-[[ethylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]butanoate;hydroiodide
CID 111356097
tert-butyl 3-[[ethylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]propanoate;hydroiodide
CID 111838866
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111355622
1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide
CID 111765966
2-[2-(benzenesulfonamido)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354375

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pent-3-enylguanidine?
The IUPAC name of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pent-3-enylguanidine (CID 111587903) is 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pent-3-enylguanidine.
What is the SMILES notation for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pent-3-enylguanidine?
The canonical SMILES for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pent-3-enylguanidine is CC=CCC/N=C(\NCC)NCCc1ccco1.
What is the InChIKey of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pent-3-enylguanidine?
The InChIKey is MTCQGELJOJYOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-5-6-10-16-14(15-4-2)17-11-9-13-8-7-12-18-13/h3,5,7-8,12H,4,6,9-11H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pent-3-enylguanidine?
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pent-3-enylguanidine has a molecular weight of 249.36 g/mol, XLogP of 2.34, 7 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-pent-3-enylguanidine is sourced from PubChem (CID 111587903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).