dodecyl(trimethyl)azanium

C15H34N+ — CID 8153

IUPACdodecyl(trimethyl)azanium
SMILESCCCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C15H34N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3/q+1
InChIKeyVICYBMUVWHJEFT-UHFFFAOYSA-N
MW228.44 g/mol
LogP4.61
Rot. Bonds11

About dodecyl(trimethyl)azanium

dodecyl(trimethyl)azanium (PubChem CID 8153) has the molecular formula C15H34N+ and a molecular weight of 228.44 g/mol. Its IUPAC name is dodecyl(trimethyl)azanium.

Molecular Properties

Compound Namedodecyl(trimethyl)azanium
PubChem CID8153
Molecular FormulaC15H34N+
Molecular Weight228.44 g/mol
Exact Mass228.27
IUPAC Namedodecyl(trimethyl)azanium
SMILESCCCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C15H34N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3/q+1
InChIKeyVICYBMUVWHJEFT-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 dodecyl(trimethyl)azanium?
The IUPAC name of dodecyl(trimethyl)azanium (CID 8153) is dodecyl(trimethyl)azanium.
What is the SMILES notation for dodecyl(trimethyl)azanium?
The canonical SMILES for dodecyl(trimethyl)azanium is CCCCCCCCCCCC[N+](C)(C)C.
What is the InChIKey of dodecyl(trimethyl)azanium?
The InChIKey is VICYBMUVWHJEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3/q+1.
What are the key properties of dodecyl(trimethyl)azanium?
dodecyl(trimethyl)azanium has a molecular weight of 228.44 g/mol, XLogP of 4.61, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(trimethyl)azanium is sourced from PubChem (CID 8153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).