3-decoxypropyl(trimethyl)azanium chloride

C16H36ClNO — CID 3025675

IUPAC3-decoxypropyl(trimethyl)azanium chloride
SMILESCCCCCCCCCCOCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C16H36NO.ClH/c1-5-6-7-8-9-10-11-12-15-18-16-13-14-17(2,3)4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKeyPZNSXEGDODLWLT-UHFFFAOYSA-M
MW293.92 g/mol
LogP1.24
Rot. Bonds13

About 3-decoxypropyl(trimethyl)azanium chloride

3-decoxypropyl(trimethyl)azanium chloride (PubChem CID 3025675) has the molecular formula C16H36ClNO and a molecular weight of 293.92 g/mol. Its IUPAC name is 3-decoxypropyl(trimethyl)azanium chloride.

Molecular Properties

Compound Name3-decoxypropyl(trimethyl)azanium chloride
PubChem CID3025675
Molecular FormulaC16H36ClNO
Molecular Weight293.92 g/mol
Exact Mass293.25
IUPAC Name3-decoxypropyl(trimethyl)azanium chloride
SMILESCCCCCCCCCCOCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C16H36NO.ClH/c1-5-6-7-8-9-10-11-12-15-18-16-13-14-17(2,3)4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKeyPZNSXEGDODLWLT-UHFFFAOYSA-M
XLogP1.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.92
LogP ≤ 51.24
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 3-decoxypropyl(trimethyl)azanium chloride?
The IUPAC name of 3-decoxypropyl(trimethyl)azanium chloride (CID 3025675) is 3-decoxypropyl(trimethyl)azanium chloride.
What is the SMILES notation for 3-decoxypropyl(trimethyl)azanium chloride?
The canonical SMILES for 3-decoxypropyl(trimethyl)azanium chloride is CCCCCCCCCCOCCC[N+](C)(C)C.[Cl-].
What is the InChIKey of 3-decoxypropyl(trimethyl)azanium chloride?
The InChIKey is PZNSXEGDODLWLT-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36NO.ClH/c1-5-6-7-8-9-10-11-12-15-18-16-13-14-17(2,3)4;/h5-16H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 3-decoxypropyl(trimethyl)azanium chloride?
3-decoxypropyl(trimethyl)azanium chloride has a molecular weight of 293.92 g/mol, XLogP of 1.24, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decoxypropyl(trimethyl)azanium chloride is sourced from PubChem (CID 3025675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).