(5-bromo-6-hydroxyhexyl)azanium bromide

C6H15Br2NO — CID 110189650

IUPAC(5-bromo-6-hydroxyhexyl)azanium bromide
SMILES[Br-].[NH3+]CCCCC(Br)CO
InChIInChI=1S/C6H14BrNO.BrH/c7-6(5-9)3-1-2-4-8;/h6,9H,1-5,8H2;1H
InChIKeyTTWBXYOPULHDAP-UHFFFAOYSA-N
MW277.00 g/mol
LogP-2.84
Rot. Bonds5

About (5-bromo-6-hydroxyhexyl)azanium bromide

(5-bromo-6-hydroxyhexyl)azanium bromide (PubChem CID 110189650) has the molecular formula C6H15Br2NO and a molecular weight of 277.00 g/mol. Its IUPAC name is (5-bromo-6-hydroxyhexyl)azanium bromide.

Molecular Properties

Compound Name(5-bromo-6-hydroxyhexyl)azanium bromide
PubChem CID110189650
Molecular FormulaC6H15Br2NO
Molecular Weight277.00 g/mol
Exact Mass274.95
IUPAC Name(5-bromo-6-hydroxyhexyl)azanium bromide
SMILES[Br-].[NH3+]CCCCC(Br)CO
InChIInChI=1S/C6H14BrNO.BrH/c7-6(5-9)3-1-2-4-8;/h6,9H,1-5,8H2;1H
InChIKeyTTWBXYOPULHDAP-UHFFFAOYSA-N
XLogP-2.84
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.00
LogP ≤ 5-2.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-6-hydroxyhexyl)azanium bromide?
The IUPAC name of (5-bromo-6-hydroxyhexyl)azanium bromide (CID 110189650) is (5-bromo-6-hydroxyhexyl)azanium bromide.
What is the SMILES notation for (5-bromo-6-hydroxyhexyl)azanium bromide?
The canonical SMILES for (5-bromo-6-hydroxyhexyl)azanium bromide is [Br-].[NH3+]CCCCC(Br)CO.
What is the InChIKey of (5-bromo-6-hydroxyhexyl)azanium bromide?
The InChIKey is TTWBXYOPULHDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrNO.BrH/c7-6(5-9)3-1-2-4-8;/h6,9H,1-5,8H2;1H.
What are the key properties of (5-bromo-6-hydroxyhexyl)azanium bromide?
(5-bromo-6-hydroxyhexyl)azanium bromide has a molecular weight of 277.00 g/mol, XLogP of -2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-6-hydroxyhexyl)azanium bromide is sourced from PubChem (CID 110189650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).