trimethyl(7-methyloct-3-enyl)azanium

C12H26N+ — CID 123575758

IUPACtrimethyl(7-methyloct-3-enyl)azanium
SMILESCC(C)CCC=CCC[N+](C)(C)C
InChIInChI=1S/C12H26N/c1-12(2)10-8-6-7-9-11-13(3,4)5/h6-7,12H,8-11H2,1-5H3/q+1
InChIKeyXPGXHZNILWPQGT-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.08
Rot. Bonds6

About trimethyl(7-methyloct-3-enyl)azanium

trimethyl(7-methyloct-3-enyl)azanium (PubChem CID 123575758) has the molecular formula C12H26N+ and a molecular weight of 184.35 g/mol. Its IUPAC name is trimethyl(7-methyloct-3-enyl)azanium.

Molecular Properties

Compound Nametrimethyl(7-methyloct-3-enyl)azanium
PubChem CID123575758
Molecular FormulaC12H26N+
Molecular Weight184.35 g/mol
Exact Mass184.21
IUPAC Nametrimethyl(7-methyloct-3-enyl)azanium
SMILESCC(C)CCC=CCC[N+](C)(C)C
InChIInChI=1S/C12H26N/c1-12(2)10-8-6-7-9-11-13(3,4)5/h6-7,12H,8-11H2,1-5H3/q+1
InChIKeyXPGXHZNILWPQGT-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.08
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 trimethyl(7-methyloct-3-enyl)azanium?
The IUPAC name of trimethyl(7-methyloct-3-enyl)azanium (CID 123575758) is trimethyl(7-methyloct-3-enyl)azanium.
What is the SMILES notation for trimethyl(7-methyloct-3-enyl)azanium?
The canonical SMILES for trimethyl(7-methyloct-3-enyl)azanium is CC(C)CCC=CCC[N+](C)(C)C.
What is the InChIKey of trimethyl(7-methyloct-3-enyl)azanium?
The InChIKey is XPGXHZNILWPQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N/c1-12(2)10-8-6-7-9-11-13(3,4)5/h6-7,12H,8-11H2,1-5H3/q+1.
What are the key properties of trimethyl(7-methyloct-3-enyl)azanium?
trimethyl(7-methyloct-3-enyl)azanium has a molecular weight of 184.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(7-methyloct-3-enyl)azanium is sourced from PubChem (CID 123575758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).