diethyl-hex-2-enyl-methylazanium

C11H24N+ — CID 59896281

IUPACdiethyl-hex-2-enyl-methylazanium
SMILESCCCC=CC[N+](C)(CC)CC
InChIInChI=1S/C11H24N/c1-5-8-9-10-11-12(4,6-2)7-3/h9-10H,5-8,11H2,1-4H3/q+1
InChIKeyWEEOWNOMLRXNHL-UHFFFAOYSA-N
MW170.32 g/mol
LogP2.83
Rot. Bonds6

About diethyl-hex-2-enyl-methylazanium

diethyl-hex-2-enyl-methylazanium (PubChem CID 59896281) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is diethyl-hex-2-enyl-methylazanium.

Molecular Properties

Compound Namediethyl-hex-2-enyl-methylazanium
PubChem CID59896281
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Namediethyl-hex-2-enyl-methylazanium
SMILESCCCC=CC[N+](C)(CC)CC
InChIInChI=1S/C11H24N/c1-5-8-9-10-11-12(4,6-2)7-3/h9-10H,5-8,11H2,1-4H3/q+1
InChIKeyWEEOWNOMLRXNHL-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 52.83
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 diethyl-hex-2-enyl-methylazanium?
The IUPAC name of diethyl-hex-2-enyl-methylazanium (CID 59896281) is diethyl-hex-2-enyl-methylazanium.
What is the SMILES notation for diethyl-hex-2-enyl-methylazanium?
The canonical SMILES for diethyl-hex-2-enyl-methylazanium is CCCC=CC[N+](C)(CC)CC.
What is the InChIKey of diethyl-hex-2-enyl-methylazanium?
The InChIKey is WEEOWNOMLRXNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N/c1-5-8-9-10-11-12(4,6-2)7-3/h9-10H,5-8,11H2,1-4H3/q+1.
What are the key properties of diethyl-hex-2-enyl-methylazanium?
diethyl-hex-2-enyl-methylazanium has a molecular weight of 170.32 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-hex-2-enyl-methylazanium is sourced from PubChem (CID 59896281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).