trimethyl(oct-2-enyl)azanium

C11H24N+ — CID 57001337

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

About trimethyl(oct-2-enyl)azanium

trimethyl(oct-2-enyl)azanium (PubChem CID 57001337) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is trimethyl(oct-2-enyl)azanium.

Molecular Properties

Compound Nametrimethyl(oct-2-enyl)azanium
PubChem CID57001337
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Nametrimethyl(oct-2-enyl)azanium
SMILESCCCCCC=CC[N+](C)(C)C
InChIInChI=1S/C11H24N/c1-5-6-7-8-9-10-11-12(2,3)4/h9-10H,5-8,11H2,1-4H3/q+1
InChIKeyZTZMVCGNQLZEEH-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': '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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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
(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
N-(2,7-dimethyl-2,7-octadienyl)-N,N-dimethyl-amine
CID 547034
Tris(2,7-octadienyl)amine
CID 12321498
Tri-octa-2,7-dienylamin
CID 54519738
N,N-dimethylfarnesylamine
CID 85195968
N-(2,7-dimethyl-2,7-octadienyl)-N,N-diethylamine
CID 85997288
N,N-dimethyl-2,7-octadienylamine
CID 86106955
Hexadecyl trimethyl allylammonium chloride
CID 129861800

Frequently Asked Questions

What is the IUPAC name of trimethyl(oct-2-enyl)azanium?
The IUPAC name of trimethyl(oct-2-enyl)azanium (CID 57001337) is trimethyl(oct-2-enyl)azanium.
What is the SMILES notation for trimethyl(oct-2-enyl)azanium?
The canonical SMILES for trimethyl(oct-2-enyl)azanium is CCCCCC=CC[N+](C)(C)C.
What is the InChIKey of trimethyl(oct-2-enyl)azanium?
The InChIKey is ZTZMVCGNQLZEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N/c1-5-6-7-8-9-10-11-12(2,3)4/h9-10H,5-8,11H2,1-4H3/q+1.
What are the key properties of trimethyl(oct-2-enyl)azanium?
trimethyl(oct-2-enyl)azanium 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 trimethyl(oct-2-enyl)azanium is sourced from PubChem (CID 57001337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).