trimethyl(undec-1-enyl)azanium bromide

C14H30BrN — CID 87900907

IUPACtrimethyl(undec-1-enyl)azanium bromide
SMILESCCCCCCCCCC=C[N+](C)(C)C.[Br-]
InChIInChI=1S/C14H30N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4;/h13-14H,5-12H2,1-4H3;1H/q+1;/p-1
InChIKeyCQPYQAQFVXLQDH-UHFFFAOYSA-M
MW292.31 g/mol
LogP1.35
Rot. Bonds9

About trimethyl(undec-1-enyl)azanium bromide

trimethyl(undec-1-enyl)azanium bromide (PubChem CID 87900907) has the molecular formula C14H30BrN and a molecular weight of 292.31 g/mol. Its IUPAC name is trimethyl(undec-1-enyl)azanium bromide.

Molecular Properties

Compound Nametrimethyl(undec-1-enyl)azanium bromide
PubChem CID87900907
Molecular FormulaC14H30BrN
Molecular Weight292.31 g/mol
Exact Mass291.16
IUPAC Nametrimethyl(undec-1-enyl)azanium bromide
SMILESCCCCCCCCCC=C[N+](C)(C)C.[Br-]
InChIInChI=1S/C14H30N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4;/h13-14H,5-12H2,1-4H3;1H/q+1;/p-1
InChIKeyCQPYQAQFVXLQDH-UHFFFAOYSA-M
XLogP1.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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(undec-1-enyl)azanium bromide?
The IUPAC name of trimethyl(undec-1-enyl)azanium bromide (CID 87900907) is trimethyl(undec-1-enyl)azanium bromide.
What is the SMILES notation for trimethyl(undec-1-enyl)azanium bromide?
The canonical SMILES for trimethyl(undec-1-enyl)azanium bromide is CCCCCCCCCC=C[N+](C)(C)C.[Br-].
What is the InChIKey of trimethyl(undec-1-enyl)azanium bromide?
The InChIKey is CQPYQAQFVXLQDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H30N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4;/h13-14H,5-12H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(undec-1-enyl)azanium bromide?
trimethyl(undec-1-enyl)azanium bromide has a molecular weight of 292.31 g/mol, XLogP of 1.35, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(undec-1-enyl)azanium bromide is sourced from PubChem (CID 87900907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).