5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine

C14H23BrN2 — CID 79489379

IUPAC5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(CC(C)C)c1ccc(Br)cn1
InChIInChI=1S/C14H23BrN2/c1-5-13(6-2)17(10-11(3)4)14-8-7-12(15)9-16-14/h7-9,11,13H,5-6,10H2,1-4H3
InChIKeyMYDWJEYQTMLLQQ-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.50
Rot. Bonds6

About 5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine

5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine (PubChem CID 79489379) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
PubChem CID79489379
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(CC(C)C)c1ccc(Br)cn1
InChIInChI=1S/C14H23BrN2/c1-5-13(6-2)17(10-11(3)4)14-8-7-12(15)9-16-14/h7-9,11,13H,5-6,10H2,1-4H3
InChIKeyMYDWJEYQTMLLQQ-UHFFFAOYSA-N
XLogP4.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-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-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine (CID 79489379) is 5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine is CCC(CC)N(CC(C)C)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine?
The InChIKey is MYDWJEYQTMLLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-5-13(6-2)17(10-11(3)4)14-8-7-12(15)9-16-14/h7-9,11,13H,5-6,10H2,1-4H3.
What are the key properties of 5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine?
5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine has a molecular weight of 299.26 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine is sourced from PubChem (CID 79489379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).