1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine

C13H17N3O2 — CID 110938014

IUPAC1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCc1ccco1
InChIInChI=1S/C13H17N3O2/c1-2-14-13(15-9-11-5-3-7-17-11)16-10-12-6-4-8-18-12/h3-8H,2,9-10H2,1H3,(H2,14,15,16)
InChIKeyWQTJSFZMEWIEEQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.13
Rot. Bonds5

About 1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine

1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine (PubChem CID 110938014) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
PubChem CID110938014
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCc1ccco1
InChIInChI=1S/C13H17N3O2/c1-2-14-13(15-9-11-5-3-7-17-11)16-10-12-6-4-8-18-12/h3-8H,2,9-10H2,1H3,(H2,14,15,16)
InChIKeyWQTJSFZMEWIEEQ-UHFFFAOYSA-N
XLogP2.13
TPSA62.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 116511394
2-[(4-chlorophenyl)methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938023
1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine
CID 110938972
2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937239
1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 110938971
1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 110938759
2-[[2-(ethoxymethyl)phenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine
CID 110937324
1-tert-butyl-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110965775
1-ethyl-2-(furan-2-ylmethyl)-3-propan-2-ylguanidine;hydroiodide
CID 111126807
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 111770476
1-ethyl-3-[2-(furan-2-yl)-2-hydroxyethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937529
1-ethyl-2-[(4-fluoro-3-methylphenyl)methyl]-3-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938785

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine (CID 110938014) is 1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccco1)NCc1ccco1.
What is the InChIKey of 1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine?
The InChIKey is WQTJSFZMEWIEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-14-13(15-9-11-5-3-7-17-11)16-10-12-6-4-8-18-12/h3-8H,2,9-10H2,1H3,(H2,14,15,16).
What are the key properties of 1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine?
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine has a molecular weight of 247.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine is sourced from PubChem (CID 110938014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).