3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine

C11H18BrN3 — CID 104827426

IUPAC3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine
SMILESCC(Nc1ncc(N)cc1Br)C(C)(C)C
InChIInChI=1S/C11H18BrN3/c1-7(11(2,3)4)15-10-9(12)5-8(13)6-14-10/h5-7H,13H2,1-4H3,(H,14,15)
InChIKeyHITAMUFUXNYOIH-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.27
Rot. Bonds2

About 3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine

3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine (PubChem CID 104827426) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine
PubChem CID104827426
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine
SMILESCC(Nc1ncc(N)cc1Br)C(C)(C)C
InChIInChI=1S/C11H18BrN3/c1-7(11(2,3)4)15-10-9(12)5-8(13)6-14-10/h5-7H,13H2,1-4H3,(H,14,15)
InChIKeyHITAMUFUXNYOIH-UHFFFAOYSA-N
XLogP3.27
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine (CID 104827426) is 3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine is CC(Nc1ncc(N)cc1Br)C(C)(C)C.
What is the InChIKey of 3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine?
The InChIKey is HITAMUFUXNYOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-7(11(2,3)4)15-10-9(12)5-8(13)6-14-10/h5-7H,13H2,1-4H3,(H,14,15).
What are the key properties of 3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine?
3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine has a molecular weight of 272.19 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine is sourced from PubChem (CID 104827426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).