5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine

C13H23BrN4 — CID 54963875

IUPAC5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine
SMILESCC(C)CC(CN(C)C)Nc1ncc(Br)cc1N
InChIInChI=1S/C13H23BrN4/c1-9(2)5-11(8-18(3)4)17-13-12(15)6-10(14)7-16-13/h6-7,9,11H,5,8,15H2,1-4H3,(H,16,17)
InChIKeyUSJHBKHLOCDZBS-UHFFFAOYSA-N
MW315.26 g/mol
LogP2.81
Rot. Bonds6

About 5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine

5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine (PubChem CID 54963875) has the molecular formula C13H23BrN4 and a molecular weight of 315.26 g/mol. Its IUPAC name is 5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine
PubChem CID54963875
Molecular FormulaC13H23BrN4
Molecular Weight315.26 g/mol
Exact Mass314.11
IUPAC Name5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine
SMILESCC(C)CC(CN(C)C)Nc1ncc(Br)cc1N
InChIInChI=1S/C13H23BrN4/c1-9(2)5-11(8-18(3)4)17-13-12(15)6-10(14)7-16-13/h6-7,9,11H,5,8,15H2,1-4H3,(H,16,17)
InChIKeyUSJHBKHLOCDZBS-UHFFFAOYSA-N
XLogP2.81
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine (CID 54963875) is 5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine is CC(C)CC(CN(C)C)Nc1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine?
The InChIKey is USJHBKHLOCDZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4/c1-9(2)5-11(8-18(3)4)17-13-12(15)6-10(14)7-16-13/h6-7,9,11H,5,8,15H2,1-4H3,(H,16,17).
What are the key properties of 5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine?
5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine has a molecular weight of 315.26 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine is sourced from PubChem (CID 54963875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).