trimethyl-[(E)-oct-6-enyl]azanium

C11H24N+ — CID 102116303

IUPACtrimethyl-[(E)-oct-6-enyl]azanium
SMILESC/C=C/CCCCC[N+](C)(C)C
InChIInChI=1S/C11H24N/c1-5-6-7-8-9-10-11-12(2,3)4/h5-6H,7-11H2,1-4H3/q+1/b6-5+
InChIKeyQZCNXIFWDHMQAE-AATRIKPKSA-N
MW170.32 g/mol
LogP2.83
Rot. Bonds6

About trimethyl-[(E)-oct-6-enyl]azanium

trimethyl-[(E)-oct-6-enyl]azanium (PubChem CID 102116303) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is trimethyl-[(E)-oct-6-enyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(E)-oct-6-enyl]azanium
PubChem CID102116303
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Nametrimethyl-[(E)-oct-6-enyl]azanium
SMILESC/C=C/CCCCC[N+](C)(C)C
InChIInChI=1S/C11H24N/c1-5-6-7-8-9-10-11-12(2,3)4/h5-6H,7-11H2,1-4H3/q+1/b6-5+
InChIKeyQZCNXIFWDHMQAE-AATRIKPKSA-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

hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
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icosa-2,10,18-triene
CID 74063823
trimethyl-[(E)-octadec-9-enyl]azanium hydroxide
CID 87880829
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
trimethyl(16-oxohexadecyl)azanium
CID 177225514
trimethyl(6-oxohexyl)azanium
CID 57072310
trimethyl-[(9Z,12Z)-octadeca-9,12-dienyl]azanium chloride
CID 71587378
trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
CID 10921
trimethyl-[22-(trimethylazaniumyl)docosyl]azanium dichloride
CID 71335073
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353
tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
CID 173060606

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-oct-6-enyl]azanium?
The IUPAC name of trimethyl-[(E)-oct-6-enyl]azanium (CID 102116303) is trimethyl-[(E)-oct-6-enyl]azanium.
What is the SMILES notation for trimethyl-[(E)-oct-6-enyl]azanium?
The canonical SMILES for trimethyl-[(E)-oct-6-enyl]azanium is C/C=C/CCCCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[(E)-oct-6-enyl]azanium?
The InChIKey is QZCNXIFWDHMQAE-AATRIKPKSA-N. The full InChI is InChI=1S/C11H24N/c1-5-6-7-8-9-10-11-12(2,3)4/h5-6H,7-11H2,1-4H3/q+1/b6-5+.
What are the key properties of trimethyl-[(E)-oct-6-enyl]azanium?
trimethyl-[(E)-oct-6-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-[(E)-oct-6-enyl]azanium is sourced from PubChem (CID 102116303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).