azane;2-bromo-2,3-dimethylbutane

C6H16BrN — CID 131989139

IUPACazane;2-bromo-2,3-dimethylbutane
SMILESCC(C)C(C)(C)Br.N
InChIInChI=1S/C6H13Br.H3N/c1-5(2)6(3,4)7;/h5H,1-4H3;1H3
InChIKeyZGWPOBZDCOVBHN-UHFFFAOYSA-N
MW182.10 g/mol
LogP2.98
Rot. Bonds1

About azane;2-bromo-2,3-dimethylbutane

azane;2-bromo-2,3-dimethylbutane (PubChem CID 131989139) has the molecular formula C6H16BrN and a molecular weight of 182.10 g/mol. Its IUPAC name is azane;2-bromo-2,3-dimethylbutane.

Molecular Properties

Compound Nameazane;2-bromo-2,3-dimethylbutane
PubChem CID131989139
Molecular FormulaC6H16BrN
Molecular Weight182.10 g/mol
Exact Mass181.05
IUPAC Nameazane;2-bromo-2,3-dimethylbutane
SMILESCC(C)C(C)(C)Br.N
InChIInChI=1S/C6H13Br.H3N/c1-5(2)6(3,4)7;/h5H,1-4H3;1H3
InChIKeyZGWPOBZDCOVBHN-UHFFFAOYSA-N
XLogP2.98
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.10
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze azane;2-bromo-2,3-dimethylbutane 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 azane;2-bromo-2,3-dimethylbutane?
The IUPAC name of azane;2-bromo-2,3-dimethylbutane (CID 131989139) is azane;2-bromo-2,3-dimethylbutane.
What is the SMILES notation for azane;2-bromo-2,3-dimethylbutane?
The canonical SMILES for azane;2-bromo-2,3-dimethylbutane is CC(C)C(C)(C)Br.N.
What is the InChIKey of azane;2-bromo-2,3-dimethylbutane?
The InChIKey is ZGWPOBZDCOVBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13Br.H3N/c1-5(2)6(3,4)7;/h5H,1-4H3;1H3.
What are the key properties of azane;2-bromo-2,3-dimethylbutane?
azane;2-bromo-2,3-dimethylbutane has a molecular weight of 182.10 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-bromo-2,3-dimethylbutane is sourced from PubChem (CID 131989139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).