1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine

C11H19N3O — CID 62361367

IUPAC1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine
SMILESCC/N=C(\N)NC(C)c1cc(C)oc1C
InChIInChI=1S/C11H19N3O/c1-5-13-11(12)14-8(3)10-6-7(2)15-9(10)4/h6,8H,5H2,1-4H3,(H3,12,13,14)
InChIKeyAFEXMGJIWYUOBI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.88
Rot. Bonds3

About 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine (PubChem CID 62361367) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine.

Molecular Properties

Compound Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine
PubChem CID62361367
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine
SMILESCC/N=C(\N)NC(C)c1cc(C)oc1C
InChIInChI=1S/C11H19N3O/c1-5-13-11(12)14-8(3)10-6-7(2)15-9(10)4/h6,8H,5H2,1-4H3,(H3,12,13,14)
InChIKeyAFEXMGJIWYUOBI-UHFFFAOYSA-N
XLogP1.88
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
2-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-propan-2-ylguanidine
CID 62361369
2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopropane-1-carboxamide
CID 114995788
3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide
CID 77031154
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
1-butyl-3-[1-(2,5-dimethylfuran-3-yl)ethyl]thiourea
CID 115595476
2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine
CID 103389665
2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol
CID 65312937
ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate
CID 60812257
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide
CID 60864839
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111121109
(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid
CID 107566688

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine?
The IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine (CID 62361367) is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine.
What is the SMILES notation for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine?
The canonical SMILES for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine is CC/N=C(\N)NC(C)c1cc(C)oc1C.
What is the InChIKey of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine?
The InChIKey is AFEXMGJIWYUOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-13-11(12)14-8(3)10-6-7(2)15-9(10)4/h6,8H,5H2,1-4H3,(H3,12,13,14).
What are the key properties of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine?
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine has a molecular weight of 209.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine is sourced from PubChem (CID 62361367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).