(5-ethylfuran-2-yl)methyl-trimethylazanium iodide

C10H18INO — CID 23273795

IUPAC(5-ethylfuran-2-yl)methyl-trimethylazanium iodide
SMILESCCc1ccc(C[N+](C)(C)C)o1.[I-]
InChIInChI=1S/C10H18NO.HI/c1-5-9-6-7-10(12-9)8-11(2,3)4;/h6-7H,5,8H2,1-4H3;1H/q+1;/p-1
InChIKeyXGKODALYGBMVPO-UHFFFAOYSA-M
MW295.16 g/mol
LogP-0.95
Rot. Bonds3

About (5-ethylfuran-2-yl)methyl-trimethylazanium iodide

(5-ethylfuran-2-yl)methyl-trimethylazanium iodide (PubChem CID 23273795) has the molecular formula C10H18INO and a molecular weight of 295.16 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)methyl-trimethylazanium iodide.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)methyl-trimethylazanium iodide
PubChem CID23273795
Molecular FormulaC10H18INO
Molecular Weight295.16 g/mol
Exact Mass295.04
IUPAC Name(5-ethylfuran-2-yl)methyl-trimethylazanium iodide
SMILESCCc1ccc(C[N+](C)(C)C)o1.[I-]
InChIInChI=1S/C10H18NO.HI/c1-5-9-6-7-10(12-9)8-11(2,3)4;/h6-7H,5,8H2,1-4H3;1H/q+1;/p-1
InChIKeyXGKODALYGBMVPO-UHFFFAOYSA-M
XLogP-0.95
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide
CID 118173209
deuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide
CID 161053236
(5-ethylfuran-2-yl)phosphane
CID 118946047
2-(5-ethylfuran-2-yl)ethanamine
CID 62346486
[5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide
CID 10022201
(5-ethylfuran-2-yl)boronic acid
CID 11378537
1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone
CID 115795803
N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine
CID 62347372
cyclopropane;ethane;2-ethyl-5-methylfuran
CID 142234007
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
2-(2-bromoethylsulfanylmethyl)-5-ethylfuran
CID 165483369

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)methyl-trimethylazanium iodide?
The IUPAC name of (5-ethylfuran-2-yl)methyl-trimethylazanium iodide (CID 23273795) is (5-ethylfuran-2-yl)methyl-trimethylazanium iodide.
What is the SMILES notation for (5-ethylfuran-2-yl)methyl-trimethylazanium iodide?
The canonical SMILES for (5-ethylfuran-2-yl)methyl-trimethylazanium iodide is CCc1ccc(C[N+](C)(C)C)o1.[I-].
What is the InChIKey of (5-ethylfuran-2-yl)methyl-trimethylazanium iodide?
The InChIKey is XGKODALYGBMVPO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18NO.HI/c1-5-9-6-7-10(12-9)8-11(2,3)4;/h6-7H,5,8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of (5-ethylfuran-2-yl)methyl-trimethylazanium iodide?
(5-ethylfuran-2-yl)methyl-trimethylazanium iodide has a molecular weight of 295.16 g/mol, XLogP of -0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)methyl-trimethylazanium iodide is sourced from PubChem (CID 23273795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).