1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine

C10H17N3O2 — CID 110913806

IUPAC1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine
SMILESCOCC/N=C(\N)NCCc1ccco1
InChIInChI=1S/C10H17N3O2/c1-14-8-6-13-10(11)12-5-4-9-3-2-7-15-9/h2-3,7H,4-6,8H2,1H3,(H3,11,12,13)
InChIKeyATJHODRYQHMBNA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.37
Rot. Bonds6

About 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine

1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine (PubChem CID 110913806) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine
PubChem CID110913806
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine
SMILESCOCC/N=C(\N)NCCc1ccco1
InChIInChI=1S/C10H17N3O2/c1-14-8-6-13-10(11)12-5-4-9-3-2-7-15-9/h2-3,7H,4-6,8H2,1H3,(H3,11,12,13)
InChIKeyATJHODRYQHMBNA-UHFFFAOYSA-N
XLogP0.37
TPSA72.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.37
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'}

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Related Compounds

1-[2-(2-chlorophenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine
CID 111751345
1-[2-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111540992
1-[2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-2-propylguanidine;hydroiodide
CID 111494531
1-(1-cyclopropyl-2-methoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine
CID 110060654
1-[2-(furan-2-yl)ethyl]-3-(4-hydroxycyclohexyl)-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111540717
1-[2-(4-ethylphenyl)ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111435778
1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CID 110051171
1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CID 110058415
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-piperidin-1-ylethyl)guanidine
CID 111751316
1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-(thian-3-yl)guanidine;hydroiodide
CID 110056729
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(4-methoxybutyl)guanidine;hydroiodide
CID 111355367
1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111494527

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine (CID 110913806) is 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine is COCC/N=C(\N)NCCc1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine?
The InChIKey is ATJHODRYQHMBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-14-8-6-13-10(11)12-5-4-9-3-2-7-15-9/h2-3,7H,4-6,8H2,1H3,(H3,11,12,13).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine?
1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine has a molecular weight of 211.26 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine is sourced from PubChem (CID 110913806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).