triethyl(4-methylhex-2-enyl)azanium

C13H28N+ — CID 57286176

IUPACtriethyl(4-methylhex-2-enyl)azanium
SMILESCCC(C)C=CC[N+](CC)(CC)CC
InChIInChI=1S/C13H28N/c1-6-13(5)11-10-12-14(7-2,8-3)9-4/h10-11,13H,6-9,12H2,1-5H3/q+1
InChIKeyXZTYXXAITKIESM-UHFFFAOYSA-N
MW198.37 g/mol
LogP3.47
Rot. Bonds7

About triethyl(4-methylhex-2-enyl)azanium

triethyl(4-methylhex-2-enyl)azanium (PubChem CID 57286176) has the molecular formula C13H28N+ and a molecular weight of 198.37 g/mol. Its IUPAC name is triethyl(4-methylhex-2-enyl)azanium.

Molecular Properties

Compound Nametriethyl(4-methylhex-2-enyl)azanium
PubChem CID57286176
Molecular FormulaC13H28N+
Molecular Weight198.37 g/mol
Exact Mass198.22
IUPAC Nametriethyl(4-methylhex-2-enyl)azanium
SMILESCCC(C)C=CC[N+](CC)(CC)CC
InChIInChI=1S/C13H28N/c1-6-13(5)11-10-12-14(7-2,8-3)9-4/h10-11,13H,6-9,12H2,1-5H3/q+1
InChIKeyXZTYXXAITKIESM-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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(4-methylhex-2-enyl)azanium?
The IUPAC name of triethyl(4-methylhex-2-enyl)azanium (CID 57286176) is triethyl(4-methylhex-2-enyl)azanium.
What is the SMILES notation for triethyl(4-methylhex-2-enyl)azanium?
The canonical SMILES for triethyl(4-methylhex-2-enyl)azanium is CCC(C)C=CC[N+](CC)(CC)CC.
What is the InChIKey of triethyl(4-methylhex-2-enyl)azanium?
The InChIKey is XZTYXXAITKIESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N/c1-6-13(5)11-10-12-14(7-2,8-3)9-4/h10-11,13H,6-9,12H2,1-5H3/q+1.
What are the key properties of triethyl(4-methylhex-2-enyl)azanium?
triethyl(4-methylhex-2-enyl)azanium has a molecular weight of 198.37 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(4-methylhex-2-enyl)azanium is sourced from PubChem (CID 57286176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).