trimethyl(4-methylpentyl)azanium chloride

C9H22ClN — CID 86159928

IUPACtrimethyl(4-methylpentyl)azanium chloride
SMILESCC(C)CCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C9H22N.ClH/c1-9(2)7-6-8-10(3,4)5;/h9H,6-8H2,1-5H3;1H/q+1;/p-1
InChIKeyIEPUDZQMMLAPQL-UHFFFAOYSA-M
MW179.73 g/mol
LogP-0.87
Rot. Bonds4

About trimethyl(4-methylpentyl)azanium chloride

trimethyl(4-methylpentyl)azanium chloride (PubChem CID 86159928) has the molecular formula C9H22ClN and a molecular weight of 179.73 g/mol. Its IUPAC name is trimethyl(4-methylpentyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl(4-methylpentyl)azanium chloride
PubChem CID86159928
Molecular FormulaC9H22ClN
Molecular Weight179.73 g/mol
Exact Mass179.14
IUPAC Nametrimethyl(4-methylpentyl)azanium chloride
SMILESCC(C)CCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C9H22N.ClH/c1-9(2)7-6-8-10(3,4)5;/h9H,6-8H2,1-5H3;1H/q+1;/p-1
InChIKeyIEPUDZQMMLAPQL-UHFFFAOYSA-M
XLogP-0.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.73
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[3-[methyl-bis(4-methylpentyl)azaniumyl]propyl]azanium
CID 58371377
dimethyl-bis(7-methyloctyl)azanium chloride
CID 18689480
dimethyl-bis(16-methylheptadecyl)azanium chloride
CID 23440613
dimethyl-bis(6-methylheptyl)azanium chloride
CID 86159074
trimethyl-[22-(trimethylazaniumyl)docosyl]azanium dichloride
CID 71335073
[(4R,5S)-4,5-dihydroxyhexyl]-trimethylazanium iodide
CID 11055790
methyl-tris(8-methylnonyl)azanium
CID 19958085
5-[butyl-[3-[4-methylpentyl-[5-(trimethylazaniumyl)pentyl]amino]propyl]amino]pentyl-trimethylazanium
CID 89107362
methyl-(4-methylpentyl)-di(undecyl)azanium
CID 167409272
N,N,4,8,12-pentamethyltridecan-1-amine oxide
CID 58133406
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705

Frequently Asked Questions

What is the IUPAC name of trimethyl(4-methylpentyl)azanium chloride?
The IUPAC name of trimethyl(4-methylpentyl)azanium chloride (CID 86159928) is trimethyl(4-methylpentyl)azanium chloride.
What is the SMILES notation for trimethyl(4-methylpentyl)azanium chloride?
The canonical SMILES for trimethyl(4-methylpentyl)azanium chloride is CC(C)CCC[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl(4-methylpentyl)azanium chloride?
The InChIKey is IEPUDZQMMLAPQL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22N.ClH/c1-9(2)7-6-8-10(3,4)5;/h9H,6-8H2,1-5H3;1H/q+1;/p-1.
What are the key properties of trimethyl(4-methylpentyl)azanium chloride?
trimethyl(4-methylpentyl)azanium chloride has a molecular weight of 179.73 g/mol, XLogP of -0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(4-methylpentyl)azanium chloride is sourced from PubChem (CID 86159928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).