5-(4-bromobut-1-enyl)-4,6-dimethylpyridin-2-amine

C11H15BrN2 — CID 170497399

IUPAC5-(4-bromobut-1-enyl)-4,6-dimethylpyridin-2-amine
SMILESCc1cc(N)nc(C)c1C=CCCBr
InChIInChI=1S/C11H15BrN2/c1-8-7-11(13)14-9(2)10(8)5-3-4-6-12/h3,5,7H,4,6H2,1-2H3,(H2,13,14)
InChIKeyZFCXAAJDXIXFLA-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.08
Rot. Bonds3

About 5-(4-bromobut-1-enyl)-4,6-dimethylpyridin-2-amine

5-(4-bromobut-1-enyl)-4,6-dimethylpyridin-2-amine (PubChem CID 170497399) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 5-(4-bromobut-1-enyl)-4,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(4-bromobut-1-enyl)-4,6-dimethylpyridin-2-amine
PubChem CID170497399
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name5-(4-bromobut-1-enyl)-4,6-dimethylpyridin-2-amine
SMILESCc1cc(N)nc(C)c1C=CCCBr
InChIInChI=1S/C11H15BrN2/c1-8-7-11(13)14-9(2)10(8)5-3-4-6-12/h3,5,7H,4,6H2,1-2H3,(H2,13,14)
InChIKeyZFCXAAJDXIXFLA-UHFFFAOYSA-N
XLogP3.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-bromobut-1-enyl)-4,6-dimethylpyridin-2-amine 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 5-(4-bromobut-1-enyl)-4,6-dimethylpyridin-2-amine?
The IUPAC name of 5-(4-bromobut-1-enyl)-4,6-dimethylpyridin-2-amine (CID 170497399) is 5-(4-bromobut-1-enyl)-4,6-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(4-bromobut-1-enyl)-4,6-dimethylpyridin-2-amine?
The canonical SMILES for 5-(4-bromobut-1-enyl)-4,6-dimethylpyridin-2-amine is Cc1cc(N)nc(C)c1C=CCCBr.
What is the InChIKey of 5-(4-bromobut-1-enyl)-4,6-dimethylpyridin-2-amine?
The InChIKey is ZFCXAAJDXIXFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-8-7-11(13)14-9(2)10(8)5-3-4-6-12/h3,5,7H,4,6H2,1-2H3,(H2,13,14).
What are the key properties of 5-(4-bromobut-1-enyl)-4,6-dimethylpyridin-2-amine?
5-(4-bromobut-1-enyl)-4,6-dimethylpyridin-2-amine has a molecular weight of 255.16 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromobut-1-enyl)-4,6-dimethylpyridin-2-amine is sourced from PubChem (CID 170497399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).