trimethyl(pentyl)azanium iodide

C8H20IN — CID 29431

IUPACtrimethyl(pentyl)azanium iodide
SMILESCCCCC[N+](C)(C)C.[I-]
InChIInChI=1S/C8H20N.HI/c1-5-6-7-8-9(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyMCTZLPKUFFIIJT-UHFFFAOYSA-M
MW257.16 g/mol
LogP-1.11
Rot. Bonds4

About trimethyl(pentyl)azanium iodide

trimethyl(pentyl)azanium iodide (PubChem CID 29431) has the molecular formula C8H20IN and a molecular weight of 257.16 g/mol. Its IUPAC name is trimethyl(pentyl)azanium iodide.

Molecular Properties

Compound Nametrimethyl(pentyl)azanium iodide
PubChem CID29431
Molecular FormulaC8H20IN
Molecular Weight257.16 g/mol
Exact Mass257.06
IUPAC Nametrimethyl(pentyl)azanium iodide
SMILESCCCCC[N+](C)(C)C.[I-]
InChIInChI=1S/C8H20N.HI/c1-5-6-7-8-9(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyMCTZLPKUFFIIJT-UHFFFAOYSA-M
XLogP-1.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Related Compounds

trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
trimethyl(octyl)azanium;trihydrobromide
CID 173358284
trimethyl(pentacontyl)azanium bromide
CID 118223247
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
hexadecyl(trimethyl)azanium;trihydroiodide
CID 173462414
hexadecyl(trimethyl)azanium;propane
CID 174976794
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
hexadecyl(trimethyl)azanium;pentane
CID 88632399
dotetracontyl(trimethyl)azanium chloride
CID 141323567
hexatetracontyl(trimethyl)azanium chloride
CID 118223387

Frequently Asked Questions

What is the IUPAC name of trimethyl(pentyl)azanium iodide?
The IUPAC name of trimethyl(pentyl)azanium iodide (CID 29431) is trimethyl(pentyl)azanium iodide.
What is the SMILES notation for trimethyl(pentyl)azanium iodide?
The canonical SMILES for trimethyl(pentyl)azanium iodide is CCCCC[N+](C)(C)C.[I-].
What is the InChIKey of trimethyl(pentyl)azanium iodide?
The InChIKey is MCTZLPKUFFIIJT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.HI/c1-5-6-7-8-9(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(pentyl)azanium iodide?
trimethyl(pentyl)azanium iodide has a molecular weight of 257.16 g/mol, XLogP of -1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(pentyl)azanium iodide is sourced from PubChem (CID 29431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).