trimethyl-[(E)-oct-2-en-4-yl]azanium bromide

C11H24BrN — CID 19848239

IUPACtrimethyl-[(E)-oct-2-en-4-yl]azanium bromide
SMILESC/C=C/C(CCCC)[N+](C)(C)C.[Br-]
InChIInChI=1S/C11H24N.BrH/c1-6-8-10-11(9-7-2)12(3,4)5;/h7,9,11H,6,8,10H2,1-5H3;1H/q+1;/p-1/b9-7+;
InChIKeyYCZOEHGDILBHIX-BXTVWIJMSA-M
MW250.22 g/mol
LogP-0.17
Rot. Bonds5

About trimethyl-[(E)-oct-2-en-4-yl]azanium bromide

trimethyl-[(E)-oct-2-en-4-yl]azanium bromide (PubChem CID 19848239) has the molecular formula C11H24BrN and a molecular weight of 250.22 g/mol. Its IUPAC name is trimethyl-[(E)-oct-2-en-4-yl]azanium bromide.

Molecular Properties

Compound Nametrimethyl-[(E)-oct-2-en-4-yl]azanium bromide
PubChem CID19848239
Molecular FormulaC11H24BrN
Molecular Weight250.22 g/mol
Exact Mass249.11
IUPAC Nametrimethyl-[(E)-oct-2-en-4-yl]azanium bromide
SMILESC/C=C/C(CCCC)[N+](C)(C)C.[Br-]
InChIInChI=1S/C11H24N.BrH/c1-6-8-10-11(9-7-2)12(3,4)5;/h7,9,11H,6,8,10H2,1-5H3;1H/q+1;/p-1/b9-7+;
InChIKeyYCZOEHGDILBHIX-BXTVWIJMSA-M
XLogP-0.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 5-0.17
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-[(E)-oct-2-en-4-yl]azanium bromide?
The IUPAC name of trimethyl-[(E)-oct-2-en-4-yl]azanium bromide (CID 19848239) is trimethyl-[(E)-oct-2-en-4-yl]azanium bromide.
What is the SMILES notation for trimethyl-[(E)-oct-2-en-4-yl]azanium bromide?
The canonical SMILES for trimethyl-[(E)-oct-2-en-4-yl]azanium bromide is C/C=C/C(CCCC)[N+](C)(C)C.[Br-].
What is the InChIKey of trimethyl-[(E)-oct-2-en-4-yl]azanium bromide?
The InChIKey is YCZOEHGDILBHIX-BXTVWIJMSA-M. The full InChI is InChI=1S/C11H24N.BrH/c1-6-8-10-11(9-7-2)12(3,4)5;/h7,9,11H,6,8,10H2,1-5H3;1H/q+1;/p-1/b9-7+;.
What are the key properties of trimethyl-[(E)-oct-2-en-4-yl]azanium bromide?
trimethyl-[(E)-oct-2-en-4-yl]azanium bromide has a molecular weight of 250.22 g/mol, XLogP of -0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-oct-2-en-4-yl]azanium bromide is sourced from PubChem (CID 19848239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).