trimethyl(3-octadecoxypropyl)azanium chloride

C24H52ClNO — CID 18519353

IUPACtrimethyl(3-octadecoxypropyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C24H52NO.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-24-21-22-25(2,3)4;/h5-24H2,1-4H3;1H/q+1;/p-1
InChIKeyQMGAJHYFGBHHRR-UHFFFAOYSA-M
MW406.14 g/mol
LogP4.36
Rot. Bonds21

About trimethyl(3-octadecoxypropyl)azanium chloride

trimethyl(3-octadecoxypropyl)azanium chloride (PubChem CID 18519353) has the molecular formula C24H52ClNO and a molecular weight of 406.14 g/mol. Its IUPAC name is trimethyl(3-octadecoxypropyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl(3-octadecoxypropyl)azanium chloride
PubChem CID18519353
Molecular FormulaC24H52ClNO
Molecular Weight406.14 g/mol
Exact Mass405.37
IUPAC Nametrimethyl(3-octadecoxypropyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C24H52NO.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-24-21-22-25(2,3)4;/h5-24H2,1-4H3;1H/q+1;/p-1
InChIKeyQMGAJHYFGBHHRR-UHFFFAOYSA-M
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.14
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of trimethyl(3-octadecoxypropyl)azanium chloride?
The IUPAC name of trimethyl(3-octadecoxypropyl)azanium chloride (CID 18519353) is trimethyl(3-octadecoxypropyl)azanium chloride.
What is the SMILES notation for trimethyl(3-octadecoxypropyl)azanium chloride?
The canonical SMILES for trimethyl(3-octadecoxypropyl)azanium chloride is CCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl(3-octadecoxypropyl)azanium chloride?
The InChIKey is QMGAJHYFGBHHRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H52NO.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-24-21-22-25(2,3)4;/h5-24H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(3-octadecoxypropyl)azanium chloride?
trimethyl(3-octadecoxypropyl)azanium chloride has a molecular weight of 406.14 g/mol, XLogP of 4.36, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3-octadecoxypropyl)azanium chloride is sourced from PubChem (CID 18519353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).