[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide

C15H28INO2 — CID 118173209

IUPAC[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide
SMILESCCCCCCOCc1ccc(C[N+](C)(C)C)o1.[I-]
InChIInChI=1S/C15H28NO2.HI/c1-5-6-7-8-11-17-13-15-10-9-14(18-15)12-16(2,3)4;/h9-10H,5-8,11-13H2,1-4H3;1H/q+1;/p-1
InChIKeyIKDSOKHPPWSHDD-UHFFFAOYSA-M
MW381.30 g/mol
LogP0.59
Rot. Bonds9

About [5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide

[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide (PubChem CID 118173209) has the molecular formula C15H28INO2 and a molecular weight of 381.30 g/mol. Its IUPAC name is [5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide.

Molecular Properties

Compound Name[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide
PubChem CID118173209
Molecular FormulaC15H28INO2
Molecular Weight381.30 g/mol
Exact Mass381.12
IUPAC Name[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide
SMILESCCCCCCOCc1ccc(C[N+](C)(C)C)o1.[I-]
InChIInChI=1S/C15H28NO2.HI/c1-5-6-7-8-11-17-13-15-10-9-14(18-15)12-16(2,3)4;/h9-10H,5-8,11-13H2,1-4H3;1H/q+1;/p-1
InChIKeyIKDSOKHPPWSHDD-UHFFFAOYSA-M
XLogP0.59
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

deuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide
CID 161053236
2-methyl-5-(octoxymethyl)furan
CID 21314380
5-(tetradecoxymethyl)furan-2-carboxylic acid
CID 22152429
N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62457603
2-[[5-(decoxymethyl)furan-2-yl]methyl]propanedioic acid
CID 168891155
2-(decoxymethyl)-5-ethenylfuran
CID 158934366
N-[[5-(octadecoxymethyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 130327903
(5-ethylfuran-2-yl)methyl-trimethylazanium iodide
CID 23273795
2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62449718
2-[[5-(decoxymethyl)furan-2-yl]methyl]-3-oxopropanoic acid;methanol
CID 168891159
5-(hexadec-9-enoxymethyl)furan-2-carbaldehyde
CID 123565509
2-[[5-(decoxymethyl)furan-2-yl]methylideneamino]acetic acid
CID 140702571

Frequently Asked Questions

What is the IUPAC name of [5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide?
The IUPAC name of [5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide (CID 118173209) is [5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide.
What is the SMILES notation for [5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide?
The canonical SMILES for [5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide is CCCCCCOCc1ccc(C[N+](C)(C)C)o1.[I-].
What is the InChIKey of [5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide?
The InChIKey is IKDSOKHPPWSHDD-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H28NO2.HI/c1-5-6-7-8-11-17-13-15-10-9-14(18-15)12-16(2,3)4;/h9-10H,5-8,11-13H2,1-4H3;1H/q+1;/p-1.
What are the key properties of [5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide?
[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide has a molecular weight of 381.30 g/mol, XLogP of 0.59, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide is sourced from PubChem (CID 118173209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).