3-decoxypropyl(trimethyl)azanium

C16H36NO+ — CID 3025676

IUPAC3-decoxypropyl(trimethyl)azanium
SMILESCCCCCCCCCCOCCC[N+](C)(C)C
InChIInChI=1S/C16H36NO/c1-5-6-7-8-9-10-11-12-15-18-16-13-14-17(2,3)4/h5-16H2,1-4H3/q+1
InChIKeyCVHIIIWPOPXOOS-UHFFFAOYSA-N
MW258.47 g/mol
LogP4.24
Rot. Bonds13

About 3-decoxypropyl(trimethyl)azanium

3-decoxypropyl(trimethyl)azanium (PubChem CID 3025676) has the molecular formula C16H36NO+ and a molecular weight of 258.47 g/mol. Its IUPAC name is 3-decoxypropyl(trimethyl)azanium.

Molecular Properties

Compound Name3-decoxypropyl(trimethyl)azanium
PubChem CID3025676
Molecular FormulaC16H36NO+
Molecular Weight258.47 g/mol
Exact Mass258.28
IUPAC Name3-decoxypropyl(trimethyl)azanium
SMILESCCCCCCCCCCOCCC[N+](C)(C)C
InChIInChI=1S/C16H36NO/c1-5-6-7-8-9-10-11-12-15-18-16-13-14-17(2,3)4/h5-16H2,1-4H3/q+1
InChIKeyCVHIIIWPOPXOOS-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 54.24
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?
The IUPAC name of 3-decoxypropyl(trimethyl)azanium (CID 3025676) is 3-decoxypropyl(trimethyl)azanium.
What is the SMILES notation for 3-decoxypropyl(trimethyl)azanium?
The canonical SMILES for 3-decoxypropyl(trimethyl)azanium is CCCCCCCCCCOCCC[N+](C)(C)C.
What is the InChIKey of 3-decoxypropyl(trimethyl)azanium?
The InChIKey is CVHIIIWPOPXOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36NO/c1-5-6-7-8-9-10-11-12-15-18-16-13-14-17(2,3)4/h5-16H2,1-4H3/q+1.
What are the key properties of 3-decoxypropyl(trimethyl)azanium?
3-decoxypropyl(trimethyl)azanium has a molecular weight of 258.47 g/mol, XLogP of 4.24, 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 is sourced from PubChem (CID 3025676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).