1-bromo-2-methylbutane

C5H11Br — CID 25254

IUPAC1-bromo-2-methylbutane
SMILESCCC(C)CBr
InChIInChI=1S/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3
InChIKeyXKVLZBNEPALHIO-UHFFFAOYSA-N
MW151.05 g/mol
LogP2.43
Rot. Bonds2

About 1-bromo-2-methylbutane

1-bromo-2-methylbutane (PubChem CID 25254) has the molecular formula C5H11Br and a molecular weight of 151.05 g/mol. Its IUPAC name is 1-bromo-2-methylbutane.

Molecular Properties

Compound Name1-bromo-2-methylbutane
PubChem CID25254
Molecular FormulaC5H11Br
Molecular Weight151.05 g/mol
Exact Mass150.00
IUPAC Name1-bromo-2-methylbutane
SMILESCCC(C)CBr
InChIInChI=1S/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3
InChIKeyXKVLZBNEPALHIO-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.05
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-2-methylbutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methylbutane?
The IUPAC name of 1-bromo-2-methylbutane (CID 25254) is 1-bromo-2-methylbutane.
What is the SMILES notation for 1-bromo-2-methylbutane?
The canonical SMILES for 1-bromo-2-methylbutane is CCC(C)CBr.
What is the InChIKey of 1-bromo-2-methylbutane?
The InChIKey is XKVLZBNEPALHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3.
What are the key properties of 1-bromo-2-methylbutane?
1-bromo-2-methylbutane has a molecular weight of 151.05 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methylbutane is sourced from PubChem (CID 25254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).