hex-2-enyl(trimethyl)azanium

C9H20N+ — CID 57122035

IUPAChex-2-enyl(trimethyl)azanium
SMILESCCCC=CC[N+](C)(C)C
InChIInChI=1S/C9H20N/c1-5-6-7-8-9-10(2,3)4/h7-8H,5-6,9H2,1-4H3/q+1
InChIKeyFQOYBNGNGMCDFD-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.05
Rot. Bonds4

About hex-2-enyl(trimethyl)azanium

hex-2-enyl(trimethyl)azanium (PubChem CID 57122035) has the molecular formula C9H20N+ and a molecular weight of 142.27 g/mol. Its IUPAC name is hex-2-enyl(trimethyl)azanium.

Molecular Properties

Compound Namehex-2-enyl(trimethyl)azanium
PubChem CID57122035
Molecular FormulaC9H20N+
Molecular Weight142.27 g/mol
Exact Mass142.16
IUPAC Namehex-2-enyl(trimethyl)azanium
SMILESCCCC=CC[N+](C)(C)C
InChIInChI=1S/C9H20N/c1-5-6-7-8-9-10(2,3)4/h7-8H,5-6,9H2,1-4H3/q+1
InChIKeyFQOYBNGNGMCDFD-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.05
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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Related Compounds

2,6-Octadien-1-amine, N,N-diethyl-3,7-dimethyl-, (2E)-
CID 6390621
n,n-Diethyl-3.7-dimethyl-2.6-octadiene-1-amine
CID 324495
1-Propyl-1,2,3,6-tetrahydropyridine
CID 357826
1-Methyl-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridin-1-ium iodide
CID 3056866
(Z)-N,N-Diethyl-3,7-dimethylocta-2,6-dien-1-amine
CID 6243343
Diethyl-2,7-octadienylamine
CID 547134
(2E)-N,N-Diethyl-2,7-octadien-1-amine
CID 5365246
Tris(2,7-octadienyl)amine
CID 12321498
Tri-octa-2,7-dienylamin
CID 54519738
N,N-dimethylfarnesylamine
CID 85195968
N,N-dimethyl-2,7-octadienylamine
CID 86106955
3-Octen-2-amine, N,N-dimethyl-, (E)-
CID 5372576

Frequently Asked Questions

What is the IUPAC name of hex-2-enyl(trimethyl)azanium?
The IUPAC name of hex-2-enyl(trimethyl)azanium (CID 57122035) is hex-2-enyl(trimethyl)azanium.
What is the SMILES notation for hex-2-enyl(trimethyl)azanium?
The canonical SMILES for hex-2-enyl(trimethyl)azanium is CCCC=CC[N+](C)(C)C.
What is the InChIKey of hex-2-enyl(trimethyl)azanium?
The InChIKey is FQOYBNGNGMCDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N/c1-5-6-7-8-9-10(2,3)4/h7-8H,5-6,9H2,1-4H3/q+1.
What are the key properties of hex-2-enyl(trimethyl)azanium?
hex-2-enyl(trimethyl)azanium has a molecular weight of 142.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-2-enyl(trimethyl)azanium is sourced from PubChem (CID 57122035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).