trimethyl(octadecan-9-yl)azanium chloride

C21H46ClN — CID 86184812

IUPACtrimethyl(octadecan-9-yl)azanium chloride
SMILESCCCCCCCCCC(CCCCCCCC)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C21H46N.ClH/c1-6-8-10-12-14-16-18-20-21(22(3,4)5)19-17-15-13-11-9-7-2;/h21H,6-20H2,1-5H3;1H/q+1;/p-1
InChIKeyHZZLMGGOGSHIHF-UHFFFAOYSA-M
MW348.06 g/mol
LogP3.96
Rot. Bonds16

About trimethyl(octadecan-9-yl)azanium chloride

trimethyl(octadecan-9-yl)azanium chloride (PubChem CID 86184812) has the molecular formula C21H46ClN and a molecular weight of 348.06 g/mol. Its IUPAC name is trimethyl(octadecan-9-yl)azanium chloride.

Molecular Properties

Compound Nametrimethyl(octadecan-9-yl)azanium chloride
PubChem CID86184812
Molecular FormulaC21H46ClN
Molecular Weight348.06 g/mol
Exact Mass347.33
IUPAC Nametrimethyl(octadecan-9-yl)azanium chloride
SMILESCCCCCCCCCC(CCCCCCCC)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C21H46N.ClH/c1-6-8-10-12-14-16-18-20-21(22(3,4)5)19-17-15-13-11-9-7-2;/h21H,6-20H2,1-5H3;1H/q+1;/p-1
InChIKeyHZZLMGGOGSHIHF-UHFFFAOYSA-M
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.06
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

decan-5-yl(trimethyl)azanium
CID 71390285
docosan-3-yl(trimethyl)azanium chloride
CID 87279743
trimethyl(nonan-5-yl)azanium
CID 14113823
1-hydroxyicosan-2-yl(trimethyl)azanium
CID 122612180
dimethyl-nonacosan-13-yl-octadecylazanium chloride
CID 176902314
ethyl-dimethyl-octadecan-9-ylazanium
CID 21324513
icosan-2-yl(trimethyl)azanium chloride
CID 139396717
decan-2-yl(trimethyl)azanium chloride
CID 174768597
heptatriacontan-19-yl-methyl-dioctadecylazanium
CID 174891998
(1-chloro-2-hydroxypentadecan-4-yl)-trimethylazanium
CID 158970129
1-bromohexadecyl(trimethyl)azanium
CID 14647573
dimethyl-di(octan-3-yl)azanium
CID 155126039

Frequently Asked Questions

What is the IUPAC name of trimethyl(octadecan-9-yl)azanium chloride?
The IUPAC name of trimethyl(octadecan-9-yl)azanium chloride (CID 86184812) is trimethyl(octadecan-9-yl)azanium chloride.
What is the SMILES notation for trimethyl(octadecan-9-yl)azanium chloride?
The canonical SMILES for trimethyl(octadecan-9-yl)azanium chloride is CCCCCCCCCC(CCCCCCCC)[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl(octadecan-9-yl)azanium chloride?
The InChIKey is HZZLMGGOGSHIHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H46N.ClH/c1-6-8-10-12-14-16-18-20-21(22(3,4)5)19-17-15-13-11-9-7-2;/h21H,6-20H2,1-5H3;1H/q+1;/p-1.
What are the key properties of trimethyl(octadecan-9-yl)azanium chloride?
trimethyl(octadecan-9-yl)azanium chloride has a molecular weight of 348.06 g/mol, XLogP of 3.96, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(octadecan-9-yl)azanium chloride is sourced from PubChem (CID 86184812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).