6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine

C13H19BrN2O — CID 76740997

IUPAC6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1CC(CNc2cccc(Br)n2)CC(C)O1
InChIInChI=1S/C13H19BrN2O/c1-9-6-11(7-10(2)17-9)8-15-13-5-3-4-12(14)16-13/h3-5,9-11H,6-8H2,1-2H3,(H,15,16)
InChIKeyJOAYTPFYEFZCFM-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.46
Rot. Bonds3

About 6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine

6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine (PubChem CID 76740997) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine
PubChem CID76740997
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1CC(CNc2cccc(Br)n2)CC(C)O1
InChIInChI=1S/C13H19BrN2O/c1-9-6-11(7-10(2)17-9)8-15-13-5-3-4-12(14)16-13/h3-5,9-11H,6-8H2,1-2H3,(H,15,16)
InChIKeyJOAYTPFYEFZCFM-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]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 6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine (CID 76740997) is 6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine is CC1CC(CNc2cccc(Br)n2)CC(C)O1.
What is the InChIKey of 6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine?
The InChIKey is JOAYTPFYEFZCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9-6-11(7-10(2)17-9)8-15-13-5-3-4-12(14)16-13/h3-5,9-11H,6-8H2,1-2H3,(H,15,16).
What are the key properties of 6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine?
6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine has a molecular weight of 299.21 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 76740997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).