[5-(2-ethylimidazol-1-yl)furan-2-yl]methanamine

C10H13N3O — CID 82504832

IUPAC[5-(2-ethylimidazol-1-yl)furan-2-yl]methanamine
SMILESCCc1nccn1-c1ccc(CN)o1
InChIInChI=1S/C10H13N3O/c1-2-9-12-5-6-13(9)10-4-3-8(7-11)14-10/h3-6H,2,7,11H2,1H3
InChIKeyVSXORJSWHBPMEC-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.49
Rot. Bonds3

About [5-(2-ethylimidazol-1-yl)furan-2-yl]methanamine

[5-(2-ethylimidazol-1-yl)furan-2-yl]methanamine (PubChem CID 82504832) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is [5-(2-ethylimidazol-1-yl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-ethylimidazol-1-yl)furan-2-yl]methanamine
PubChem CID82504832
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name[5-(2-ethylimidazol-1-yl)furan-2-yl]methanamine
SMILESCCc1nccn1-c1ccc(CN)o1
InChIInChI=1S/C10H13N3O/c1-2-9-12-5-6-13(9)10-4-3-8(7-11)14-10/h3-6H,2,7,11H2,1H3
InChIKeyVSXORJSWHBPMEC-UHFFFAOYSA-N
XLogP1.49
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylimidazol-1-yl)furan-2-yl]methanamine?
The IUPAC name of [5-(2-ethylimidazol-1-yl)furan-2-yl]methanamine (CID 82504832) is [5-(2-ethylimidazol-1-yl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(2-ethylimidazol-1-yl)furan-2-yl]methanamine?
The canonical SMILES for [5-(2-ethylimidazol-1-yl)furan-2-yl]methanamine is CCc1nccn1-c1ccc(CN)o1.
What is the InChIKey of [5-(2-ethylimidazol-1-yl)furan-2-yl]methanamine?
The InChIKey is VSXORJSWHBPMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-9-12-5-6-13(9)10-4-3-8(7-11)14-10/h3-6H,2,7,11H2,1H3.
What are the key properties of [5-(2-ethylimidazol-1-yl)furan-2-yl]methanamine?
[5-(2-ethylimidazol-1-yl)furan-2-yl]methanamine has a molecular weight of 191.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylimidazol-1-yl)furan-2-yl]methanamine is sourced from PubChem (CID 82504832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).