Ammonium, (tetrahydrofurfuryl)trimethyl-, iodide

C8H18INO — CID 40309

IUPACtrimethyl(oxolan-2-ylmethyl)azanium iodide
SMILESC[N+](C)(C)CC1CCCO1.[I-]
InChIInChI=1S/C8H18NO.HI/c1-9(2,3)7-8-5-4-6-10-8;/h8H,4-7H2,1-3H3;1H/q+1;/p-1
InChIKeyYRCOWUJJSXXSAK-UHFFFAOYSA-M
MW271.14 g/mol
LogP—
Rot. Bonds2

About Ammonium, (tetrahydrofurfuryl)trimethyl-, iodide

Ammonium, (tetrahydrofurfuryl)trimethyl-, iodide (PubChem CID 40309) has the molecular formula C8H18INO and a molecular weight of 271.14 g/mol. Its IUPAC name is trimethyl(oxolan-2-ylmethyl)azanium iodide.

Molecular Properties

Compound NameAmmonium, (tetrahydrofurfuryl)trimethyl-, iodide
PubChem CID40309
Molecular FormulaC8H18INO
Molecular Weight271.14 g/mol
Exact Mass271.04
IUPAC Nametrimethyl(oxolan-2-ylmethyl)azanium iodide
SMILESC[N+](C)(C)CC1CCCO1.[I-]
InChIInChI=1S/C8H18NO.HI/c1-9(2,3)7-8-5-4-6-10-8;/h8H,4-7H2,1-3H3;1H/q+1;/p-1
InChIKeyYRCOWUJJSXXSAK-UHFFFAOYSA-M
XLogP—
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity106

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze Ammonium, (tetrahydrofurfuryl)trimethyl-, 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

trimethyl-[[(2S,5S)-5-methyloxolan-2-yl]methyl]azanium
CID 10103411
(2S,4R,5S)-4-Fluorotetrahydro-N,N,N,5-tetramethyl-2-furanmethanaminium
CID 195699
[(2S,5S)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 9990216
[(2R,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
CID 15930132
1-(2-Tetrahydrofurylmethyl)piperidine
CID 566526
Tetrahydrofurfuryl-N,N-dimethylamine
CID 3015510
4-Deoxy-4-fluoromuscarine
CID 195698
[(2R,5S)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10442649
[(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10495976
[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10591832
[(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
CID 14589730
[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
CID 15930134

Frequently Asked Questions

What is the IUPAC name of Ammonium, (tetrahydrofurfuryl)trimethyl-, iodide?
The IUPAC name of Ammonium, (tetrahydrofurfuryl)trimethyl-, iodide (CID 40309) is trimethyl(oxolan-2-ylmethyl)azanium iodide.
What is the SMILES notation for Ammonium, (tetrahydrofurfuryl)trimethyl-, iodide?
The canonical SMILES for Ammonium, (tetrahydrofurfuryl)trimethyl-, iodide is C[N+](C)(C)CC1CCCO1.[I-].
What is the InChIKey of Ammonium, (tetrahydrofurfuryl)trimethyl-, iodide?
The InChIKey is YRCOWUJJSXXSAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18NO.HI/c1-9(2,3)7-8-5-4-6-10-8;/h8H,4-7H2,1-3H3;1H/q+1;/p-1.
What are the key properties of Ammonium, (tetrahydrofurfuryl)trimethyl-, iodide?
Ammonium, (tetrahydrofurfuryl)trimethyl-, iodide has a molecular weight of 271.14 g/mol, XLogP of not available, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Ammonium, (tetrahydrofurfuryl)trimethyl-, iodide is sourced from PubChem (CID 40309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).