5-bromopentyl(trimethyl)azanium bromide

C8H19Br2N — CID 11098210

IUPAC5-bromopentyl(trimethyl)azanium bromide
SMILESC[N+](C)(C)CCCCCBr.[Br-]
InChIInChI=1S/C8H19BrN.BrH/c1-10(2,3)8-6-4-5-7-9;/h4-8H2,1-3H3;1H/q+1;/p-1
InChIKeyGEIHNRASRNQTDE-UHFFFAOYSA-M
MW289.06 g/mol
LogP-0.74
Rot. Bonds5

About 5-bromopentyl(trimethyl)azanium bromide

5-bromopentyl(trimethyl)azanium bromide (PubChem CID 11098210) has the molecular formula C8H19Br2N and a molecular weight of 289.06 g/mol. Its IUPAC name is 5-bromopentyl(trimethyl)azanium bromide.

Molecular Properties

Compound Name5-bromopentyl(trimethyl)azanium bromide
PubChem CID11098210
Molecular FormulaC8H19Br2N
Molecular Weight289.06 g/mol
Exact Mass286.99
IUPAC Name5-bromopentyl(trimethyl)azanium bromide
SMILESC[N+](C)(C)CCCCCBr.[Br-]
InChIInChI=1S/C8H19BrN.BrH/c1-10(2,3)8-6-4-5-7-9;/h4-8H2,1-3H3;1H/q+1;/p-1
InChIKeyGEIHNRASRNQTDE-UHFFFAOYSA-M
XLogP-0.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.06
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

10-bromodecyl(trimethyl)azanium;trimethyl(10-sulfanyldecyl)azanium;dibromide
CID 142202245
trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
CID 10921
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353
tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
CID 173060606
trimethyl-[22-(trimethylazaniumyl)docosyl]azanium dichloride
CID 71335073
4-bromobutyl-dimethyl-octylazanium bromide
CID 139952710
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148
trimethyl(pentacontyl)azanium bromide
CID 118223247
12-bromododecyl-(2-hydroxyethyl)-dimethylazanium bromide
CID 118340389
16-hydroxyhexadecyl(trimethyl)azanium bromide
CID 10762327
dodecyl(trimethyl)azanium;bromide;dihydrobromide
CID 173358301

Frequently Asked Questions

What is the IUPAC name of 5-bromopentyl(trimethyl)azanium bromide?
The IUPAC name of 5-bromopentyl(trimethyl)azanium bromide (CID 11098210) is 5-bromopentyl(trimethyl)azanium bromide.
What is the SMILES notation for 5-bromopentyl(trimethyl)azanium bromide?
The canonical SMILES for 5-bromopentyl(trimethyl)azanium bromide is C[N+](C)(C)CCCCCBr.[Br-].
What is the InChIKey of 5-bromopentyl(trimethyl)azanium bromide?
The InChIKey is GEIHNRASRNQTDE-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19BrN.BrH/c1-10(2,3)8-6-4-5-7-9;/h4-8H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 5-bromopentyl(trimethyl)azanium bromide?
5-bromopentyl(trimethyl)azanium bromide has a molecular weight of 289.06 g/mol, XLogP of -0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopentyl(trimethyl)azanium bromide is sourced from PubChem (CID 11098210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).