triethyl(undec-10-enyl)azanium

C17H36N+ — CID 11551730

IUPACtriethyl(undec-10-enyl)azanium
SMILESC=CCCCCCCCCC[N+](CC)(CC)CC
InChIInChI=1S/C17H36N/c1-5-9-10-11-12-13-14-15-16-17-18(6-2,7-3)8-4/h5H,1,6-17H2,2-4H3/q+1
InChIKeyATRILJGRJFCHCX-UHFFFAOYSA-N
MW254.48 g/mol
LogP5.17
Rot. Bonds13

About triethyl(undec-10-enyl)azanium

triethyl(undec-10-enyl)azanium (PubChem CID 11551730) has the molecular formula C17H36N+ and a molecular weight of 254.48 g/mol. Its IUPAC name is triethyl(undec-10-enyl)azanium.

Molecular Properties

Compound Nametriethyl(undec-10-enyl)azanium
PubChem CID11551730
Molecular FormulaC17H36N+
Molecular Weight254.48 g/mol
Exact Mass254.28
IUPAC Nametriethyl(undec-10-enyl)azanium
SMILESC=CCCCCCCCCC[N+](CC)(CC)CC
InChIInChI=1S/C17H36N/c1-5-9-10-11-12-13-14-15-16-17-18(6-2,7-3)8-4/h5H,1,6-17H2,2-4H3/q+1
InChIKeyATRILJGRJFCHCX-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
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 triethyl(undec-10-enyl)azanium?
The IUPAC name of triethyl(undec-10-enyl)azanium (CID 11551730) is triethyl(undec-10-enyl)azanium.
What is the SMILES notation for triethyl(undec-10-enyl)azanium?
The canonical SMILES for triethyl(undec-10-enyl)azanium is C=CCCCCCCCCC[N+](CC)(CC)CC.
What is the InChIKey of triethyl(undec-10-enyl)azanium?
The InChIKey is ATRILJGRJFCHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N/c1-5-9-10-11-12-13-14-15-16-17-18(6-2,7-3)8-4/h5H,1,6-17H2,2-4H3/q+1.
What are the key properties of triethyl(undec-10-enyl)azanium?
triethyl(undec-10-enyl)azanium has a molecular weight of 254.48 g/mol, XLogP of 5.17, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(undec-10-enyl)azanium is sourced from PubChem (CID 11551730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).