trimethyl(tetradec-1-en-3-yl)azanium

C17H36N+ — CID 19848172

IUPACtrimethyl(tetradec-1-en-3-yl)azanium
SMILESC=CC(CCCCCCCCCCC)[N+](C)(C)C
InChIInChI=1S/C17H36N/c1-6-8-9-10-11-12-13-14-15-16-17(7-2)18(3,4)5/h7,17H,2,6,8-16H2,1,3-5H3/q+1
InChIKeyBESLBOVHFJOZCB-UHFFFAOYSA-N
MW254.48 g/mol
LogP5.17
Rot. Bonds12

About trimethyl(tetradec-1-en-3-yl)azanium

trimethyl(tetradec-1-en-3-yl)azanium (PubChem CID 19848172) has the molecular formula C17H36N+ and a molecular weight of 254.48 g/mol. Its IUPAC name is trimethyl(tetradec-1-en-3-yl)azanium.

Molecular Properties

Compound Nametrimethyl(tetradec-1-en-3-yl)azanium
PubChem CID19848172
Molecular FormulaC17H36N+
Molecular Weight254.48 g/mol
Exact Mass254.28
IUPAC Nametrimethyl(tetradec-1-en-3-yl)azanium
SMILESC=CC(CCCCCCCCCCC)[N+](C)(C)C
InChIInChI=1S/C17H36N/c1-6-8-9-10-11-12-13-14-15-16-17(7-2)18(3,4)5/h7,17H,2,6,8-16H2,1,3-5H3/q+1
InChIKeyBESLBOVHFJOZCB-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.48
LogP ≤ 55.17
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 trimethyl(tetradec-1-en-3-yl)azanium?
The IUPAC name of trimethyl(tetradec-1-en-3-yl)azanium (CID 19848172) is trimethyl(tetradec-1-en-3-yl)azanium.
What is the SMILES notation for trimethyl(tetradec-1-en-3-yl)azanium?
The canonical SMILES for trimethyl(tetradec-1-en-3-yl)azanium is C=CC(CCCCCCCCCCC)[N+](C)(C)C.
What is the InChIKey of trimethyl(tetradec-1-en-3-yl)azanium?
The InChIKey is BESLBOVHFJOZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N/c1-6-8-9-10-11-12-13-14-15-16-17(7-2)18(3,4)5/h7,17H,2,6,8-16H2,1,3-5H3/q+1.
What are the key properties of trimethyl(tetradec-1-en-3-yl)azanium?
trimethyl(tetradec-1-en-3-yl)azanium has a molecular weight of 254.48 g/mol, XLogP of 5.17, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(tetradec-1-en-3-yl)azanium is sourced from PubChem (CID 19848172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).