6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine

C11H17BrN2 — CID 103463547

IUPAC6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine
SMILESCCC(C)(C)CNc1cccc(Br)n1
InChIInChI=1S/C11H17BrN2/c1-4-11(2,3)8-13-10-7-5-6-9(12)14-10/h5-7H,4,8H2,1-3H3,(H,13,14)
InChIKeyRUNWTJZUFJJECB-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.69
Rot. Bonds4

About 6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine

6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine (PubChem CID 103463547) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine
PubChem CID103463547
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine
SMILESCCC(C)(C)CNc1cccc(Br)n1
InChIInChI=1S/C11H17BrN2/c1-4-11(2,3)8-13-10-7-5-6-9(12)14-10/h5-7H,4,8H2,1-3H3,(H,13,14)
InChIKeyRUNWTJZUFJJECB-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine (CID 103463547) is 6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine is CCC(C)(C)CNc1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine?
The InChIKey is RUNWTJZUFJJECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-4-11(2,3)8-13-10-7-5-6-9(12)14-10/h5-7H,4,8H2,1-3H3,(H,13,14).
What are the key properties of 6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine?
6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine has a molecular weight of 257.17 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine is sourced from PubChem (CID 103463547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).