[(2R)-2,3-dibromopropyl]-(2-methylpropyl)azanium

C7H16Br2N+ — CID 7039155

IUPAC[(2R)-2,3-dibromopropyl]-(2-methylpropyl)azanium
SMILESCC(C)C[NH2+]C[C@@H](Br)CBr
InChIInChI=1S/C7H15Br2N/c1-6(2)4-10-5-7(9)3-8/h6-7,10H,3-5H2,1-2H3/p+1/t7-/m0/s1
InChIKeyVFEPZGMZLVSRCX-ZETCQYMHSA-O
MW274.02 g/mol
LogP1.36
Rot. Bonds5

About [(2R)-2,3-dibromopropyl]-(2-methylpropyl)azanium

[(2R)-2,3-dibromopropyl]-(2-methylpropyl)azanium (PubChem CID 7039155) has the molecular formula C7H16Br2N+ and a molecular weight of 274.02 g/mol. Its IUPAC name is [(2R)-2,3-dibromopropyl]-(2-methylpropyl)azanium.

Molecular Properties

Compound Name[(2R)-2,3-dibromopropyl]-(2-methylpropyl)azanium
PubChem CID7039155
Molecular FormulaC7H16Br2N+
Molecular Weight274.02 g/mol
Exact Mass271.96
IUPAC Name[(2R)-2,3-dibromopropyl]-(2-methylpropyl)azanium
SMILESCC(C)C[NH2+]C[C@@H](Br)CBr
InChIInChI=1S/C7H15Br2N/c1-6(2)4-10-5-7(9)3-8/h6-7,10H,3-5H2,1-2H3/p+1/t7-/m0/s1
InChIKeyVFEPZGMZLVSRCX-ZETCQYMHSA-O
XLogP1.36
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.02
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-dibromopropyl]-(2-methylpropyl)azanium?
The IUPAC name of [(2R)-2,3-dibromopropyl]-(2-methylpropyl)azanium (CID 7039155) is [(2R)-2,3-dibromopropyl]-(2-methylpropyl)azanium.
What is the SMILES notation for [(2R)-2,3-dibromopropyl]-(2-methylpropyl)azanium?
The canonical SMILES for [(2R)-2,3-dibromopropyl]-(2-methylpropyl)azanium is CC(C)C[NH2+]C[C@@H](Br)CBr.
What is the InChIKey of [(2R)-2,3-dibromopropyl]-(2-methylpropyl)azanium?
The InChIKey is VFEPZGMZLVSRCX-ZETCQYMHSA-O. The full InChI is InChI=1S/C7H15Br2N/c1-6(2)4-10-5-7(9)3-8/h6-7,10H,3-5H2,1-2H3/p+1/t7-/m0/s1.
What are the key properties of [(2R)-2,3-dibromopropyl]-(2-methylpropyl)azanium?
[(2R)-2,3-dibromopropyl]-(2-methylpropyl)azanium has a molecular weight of 274.02 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-dibromopropyl]-(2-methylpropyl)azanium is sourced from PubChem (CID 7039155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).