5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine

C14H23BrN2 — CID 115148384

IUPAC5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine
SMILESCc1nc(NCC(C)(C)C(C)(C)C)ccc1Br
InChIInChI=1S/C14H23BrN2/c1-10-11(15)7-8-12(17-10)16-9-14(5,6)13(2,3)4/h7-8H,9H2,1-6H3,(H,16,17)
InChIKeyYHKYLYIQDQXDAM-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.64
Rot. Bonds3

About 5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine

5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine (PubChem CID 115148384) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine
PubChem CID115148384
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine
SMILESCc1nc(NCC(C)(C)C(C)(C)C)ccc1Br
InChIInChI=1S/C14H23BrN2/c1-10-11(15)7-8-12(17-10)16-9-14(5,6)13(2,3)4/h7-8H,9H2,1-6H3,(H,16,17)
InChIKeyYHKYLYIQDQXDAM-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-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-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine?
The IUPAC name of 5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine (CID 115148384) is 5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine is Cc1nc(NCC(C)(C)C(C)(C)C)ccc1Br.
What is the InChIKey of 5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine?
The InChIKey is YHKYLYIQDQXDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-10-11(15)7-8-12(17-10)16-9-14(5,6)13(2,3)4/h7-8H,9H2,1-6H3,(H,16,17).
What are the key properties of 5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine?
5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine has a molecular weight of 299.26 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine is sourced from PubChem (CID 115148384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).