decoxymethyl(trimethyl)azanium

C14H32NO+ — CID 12769756

IUPACdecoxymethyl(trimethyl)azanium
SMILESCCCCCCCCCCOC[N+](C)(C)C
InChIInChI=1S/C14H32NO/c1-5-6-7-8-9-10-11-12-13-16-14-15(2,3)4/h5-14H2,1-4H3/q+1
InChIKeyRTQBPMRYUITHIB-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.81
Rot. Bonds11

About decoxymethyl(trimethyl)azanium

decoxymethyl(trimethyl)azanium (PubChem CID 12769756) has the molecular formula C14H32NO+ and a molecular weight of 230.42 g/mol. Its IUPAC name is decoxymethyl(trimethyl)azanium.

Molecular Properties

Compound Namedecoxymethyl(trimethyl)azanium
PubChem CID12769756
Molecular FormulaC14H32NO+
Molecular Weight230.42 g/mol
Exact Mass230.25
IUPAC Namedecoxymethyl(trimethyl)azanium
SMILESCCCCCCCCCCOC[N+](C)(C)C
InChIInChI=1S/C14H32NO/c1-5-6-7-8-9-10-11-12-13-16-14-15(2,3)4/h5-14H2,1-4H3/q+1
InChIKeyRTQBPMRYUITHIB-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

decyl-dimethyl-(octoxymethyl)azanium
CID 10406436
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
dodecyl-dimethyl-(nonoxymethyl)azanium chloride
CID 3025992
trimethyl(2-octoxyethyl)azanium bromide
CID 158985306
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381

Frequently Asked Questions

What is the IUPAC name of decoxymethyl(trimethyl)azanium?
The IUPAC name of decoxymethyl(trimethyl)azanium (CID 12769756) is decoxymethyl(trimethyl)azanium.
What is the SMILES notation for decoxymethyl(trimethyl)azanium?
The canonical SMILES for decoxymethyl(trimethyl)azanium is CCCCCCCCCCOC[N+](C)(C)C.
What is the InChIKey of decoxymethyl(trimethyl)azanium?
The InChIKey is RTQBPMRYUITHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO/c1-5-6-7-8-9-10-11-12-13-16-14-15(2,3)4/h5-14H2,1-4H3/q+1.
What are the key properties of decoxymethyl(trimethyl)azanium?
decoxymethyl(trimethyl)azanium has a molecular weight of 230.42 g/mol, XLogP of 3.81, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decoxymethyl(trimethyl)azanium is sourced from PubChem (CID 12769756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).