3-bromopentyl(trimethyl)azanium bromide

C8H19Br2N — CID 22252045

IUPAC3-bromopentyl(trimethyl)azanium bromide
SMILESCCC(Br)CC[N+](C)(C)C.[Br-]
InChIInChI=1S/C8H19BrN.BrH/c1-5-8(9)6-7-10(2,3)4;/h8H,5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyZITVOPBXRAJRHP-UHFFFAOYSA-M
MW289.06 g/mol
LogP-0.74
Rot. Bonds4

About 3-bromopentyl(trimethyl)azanium bromide

3-bromopentyl(trimethyl)azanium bromide (PubChem CID 22252045) has the molecular formula C8H19Br2N and a molecular weight of 289.06 g/mol. Its IUPAC name is 3-bromopentyl(trimethyl)azanium bromide.

Molecular Properties

Compound Name3-bromopentyl(trimethyl)azanium bromide
PubChem CID22252045
Molecular FormulaC8H19Br2N
Molecular Weight289.06 g/mol
Exact Mass286.99
IUPAC Name3-bromopentyl(trimethyl)azanium bromide
SMILESCCC(Br)CC[N+](C)(C)C.[Br-]
InChIInChI=1S/C8H19BrN.BrH/c1-5-8(9)6-7-10(2,3)4;/h8H,5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyZITVOPBXRAJRHP-UHFFFAOYSA-M
XLogP-0.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-bromohexane
CID 18806
3-bromopentane
CID 15738
3,3-dihydroxypropyl(trimethyl)azanium bromide
CID 174814493
trimethyl-[1-(trimethylazaniumyl)hexan-3-yl]azanium dichloride
CID 87755334
trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide
CID 71381310
CID 88797097
CID 88797097
2-(2-bromobutanoyloxy)ethyl-trimethylazanium bromide
CID 90374778
trimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium
CID 91488198
3,4-dimethylpentyl(trimethyl)azanium
CID 175623518
3-hydroxybutyl(trimethyl)azanium hydroxide
CID 22731873
3-bromooctadecane;methanamine
CID 172853004
triethyl-[3-(trimethylazaniumyl)propyl]azanium dibromide
CID 169428569

Frequently Asked Questions

What is the IUPAC name of 3-bromopentyl(trimethyl)azanium bromide?
The IUPAC name of 3-bromopentyl(trimethyl)azanium bromide (CID 22252045) is 3-bromopentyl(trimethyl)azanium bromide.
What is the SMILES notation for 3-bromopentyl(trimethyl)azanium bromide?
The canonical SMILES for 3-bromopentyl(trimethyl)azanium bromide is CCC(Br)CC[N+](C)(C)C.[Br-].
What is the InChIKey of 3-bromopentyl(trimethyl)azanium bromide?
The InChIKey is ZITVOPBXRAJRHP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19BrN.BrH/c1-5-8(9)6-7-10(2,3)4;/h8H,5-7H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 3-bromopentyl(trimethyl)azanium bromide?
3-bromopentyl(trimethyl)azanium bromide has a molecular weight of 289.06 g/mol, XLogP of -0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopentyl(trimethyl)azanium bromide is sourced from PubChem (CID 22252045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).