5-bromo-N-(2-ethylcyclopropyl)-4-methylpyridin-2-amine

C11H15BrN2 — CID 103858129

IUPAC5-bromo-N-(2-ethylcyclopropyl)-4-methylpyridin-2-amine
SMILESCCC1CC1Nc1cc(C)c(Br)cn1
InChIInChI=1S/C11H15BrN2/c1-3-8-5-10(8)14-11-4-7(2)9(12)6-13-11/h4,6,8,10H,3,5H2,1-2H3,(H,13,14)
InChIKeyBJXXOTFVRMNVTK-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.36
Rot. Bonds3

About 5-bromo-N-(2-ethylcyclopropyl)-4-methylpyridin-2-amine

5-bromo-N-(2-ethylcyclopropyl)-4-methylpyridin-2-amine (PubChem CID 103858129) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 5-bromo-N-(2-ethylcyclopropyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-ethylcyclopropyl)-4-methylpyridin-2-amine
PubChem CID103858129
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name5-bromo-N-(2-ethylcyclopropyl)-4-methylpyridin-2-amine
SMILESCCC1CC1Nc1cc(C)c(Br)cn1
InChIInChI=1S/C11H15BrN2/c1-3-8-5-10(8)14-11-4-7(2)9(12)6-13-11/h4,6,8,10H,3,5H2,1-2H3,(H,13,14)
InChIKeyBJXXOTFVRMNVTK-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethylcyclopropyl)-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-ethylcyclopropyl)-4-methylpyridin-2-amine (CID 103858129) is 5-bromo-N-(2-ethylcyclopropyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-ethylcyclopropyl)-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-ethylcyclopropyl)-4-methylpyridin-2-amine is CCC1CC1Nc1cc(C)c(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-ethylcyclopropyl)-4-methylpyridin-2-amine?
The InChIKey is BJXXOTFVRMNVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-3-8-5-10(8)14-11-4-7(2)9(12)6-13-11/h4,6,8,10H,3,5H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-N-(2-ethylcyclopropyl)-4-methylpyridin-2-amine?
5-bromo-N-(2-ethylcyclopropyl)-4-methylpyridin-2-amine has a molecular weight of 255.16 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethylcyclopropyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 103858129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).