trimethyl(3-octadecoxypropyl)azanium

C24H52NO+ — CID 18519354

IUPACtrimethyl(3-octadecoxypropyl)azanium
SMILESCCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C
InChIInChI=1S/C24H52NO/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/q+1
InChIKeyOWMLFDGBZCHKOL-UHFFFAOYSA-N
MW370.69 g/mol
LogP7.36
Rot. Bonds21

About trimethyl(3-octadecoxypropyl)azanium

trimethyl(3-octadecoxypropyl)azanium (PubChem CID 18519354) has the molecular formula C24H52NO+ and a molecular weight of 370.69 g/mol. Its IUPAC name is trimethyl(3-octadecoxypropyl)azanium.

Molecular Properties

Compound Nametrimethyl(3-octadecoxypropyl)azanium
PubChem CID18519354
Molecular FormulaC24H52NO+
Molecular Weight370.69 g/mol
Exact Mass370.40
IUPAC Nametrimethyl(3-octadecoxypropyl)azanium
SMILESCCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C
InChIInChI=1S/C24H52NO/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/q+1
InChIKeyOWMLFDGBZCHKOL-UHFFFAOYSA-N
XLogP7.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 57.36
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?
The IUPAC name of trimethyl(3-octadecoxypropyl)azanium (CID 18519354) is trimethyl(3-octadecoxypropyl)azanium.
What is the SMILES notation for trimethyl(3-octadecoxypropyl)azanium?
The canonical SMILES for trimethyl(3-octadecoxypropyl)azanium is CCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C.
What is the InChIKey of trimethyl(3-octadecoxypropyl)azanium?
The InChIKey is OWMLFDGBZCHKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52NO/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/q+1.
What are the key properties of trimethyl(3-octadecoxypropyl)azanium?
trimethyl(3-octadecoxypropyl)azanium has a molecular weight of 370.69 g/mol, XLogP of 7.36, 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 is sourced from PubChem (CID 18519354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).