6-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine

C12H17BrN2 — CID 130825834

IUPAC6-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine
SMILESCC(C)(Nc1cccc(Br)n1)C1CCC1
InChIInChI=1S/C12H17BrN2/c1-12(2,9-5-3-6-9)15-11-8-4-7-10(13)14-11/h4,7-9H,3,5-6H2,1-2H3,(H,14,15)
InChIKeyFLIPVNRKSQBMHP-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.83
Rot. Bonds3

About 6-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine

6-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine (PubChem CID 130825834) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 6-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine
PubChem CID130825834
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name6-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine
SMILESCC(C)(Nc1cccc(Br)n1)C1CCC1
InChIInChI=1S/C12H17BrN2/c1-12(2,9-5-3-6-9)15-11-8-4-7-10(13)14-11/h4,7-9H,3,5-6H2,1-2H3,(H,14,15)
InChIKeyFLIPVNRKSQBMHP-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.83
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-cyclobutylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine (CID 130825834) is 6-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine is CC(C)(Nc1cccc(Br)n1)C1CCC1.
What is the InChIKey of 6-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine?
The InChIKey is FLIPVNRKSQBMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-12(2,9-5-3-6-9)15-11-8-4-7-10(13)14-11/h4,7-9H,3,5-6H2,1-2H3,(H,14,15).
What are the key properties of 6-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine?
6-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine has a molecular weight of 269.19 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 130825834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).