dec-9-enyl(trimethyl)azanium

C13H28N+ — CID 24798382

IUPACdec-9-enyl(trimethyl)azanium
SMILESC=CCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C13H28N/c1-5-6-7-8-9-10-11-12-13-14(2,3)4/h5H,1,6-13H2,2-4H3/q+1
InChIKeyCISUKCZWTOZMHN-UHFFFAOYSA-N
MW198.37 g/mol
LogP3.61
Rot. Bonds9

About dec-9-enyl(trimethyl)azanium

dec-9-enyl(trimethyl)azanium (PubChem CID 24798382) has the molecular formula C13H28N+ and a molecular weight of 198.37 g/mol. Its IUPAC name is dec-9-enyl(trimethyl)azanium.

Molecular Properties

Compound Namedec-9-enyl(trimethyl)azanium
PubChem CID24798382
Molecular FormulaC13H28N+
Molecular Weight198.37 g/mol
Exact Mass198.22
IUPAC Namedec-9-enyl(trimethyl)azanium
SMILESC=CCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C13H28N/c1-5-6-7-8-9-10-11-12-13-14(2,3)4/h5H,1,6-13H2,2-4H3/q+1
InChIKeyCISUKCZWTOZMHN-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dec-9-enyl(trimethyl)azanium?
The IUPAC name of dec-9-enyl(trimethyl)azanium (CID 24798382) is dec-9-enyl(trimethyl)azanium.
What is the SMILES notation for dec-9-enyl(trimethyl)azanium?
The canonical SMILES for dec-9-enyl(trimethyl)azanium is C=CCCCCCCCC[N+](C)(C)C.
What is the InChIKey of dec-9-enyl(trimethyl)azanium?
The InChIKey is CISUKCZWTOZMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N/c1-5-6-7-8-9-10-11-12-13-14(2,3)4/h5H,1,6-13H2,2-4H3/q+1.
What are the key properties of dec-9-enyl(trimethyl)azanium?
dec-9-enyl(trimethyl)azanium has a molecular weight of 198.37 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-enyl(trimethyl)azanium is sourced from PubChem (CID 24798382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).