3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine

C16H24N4 — CID 107819458

IUPAC3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine
SMILESCCCCC(CC)Cn1cncc1-c1cccnc1N
InChIInChI=1S/C16H24N4/c1-3-5-7-13(4-2)11-20-12-18-10-15(20)14-8-6-9-19-16(14)17/h6,8-10,12-13H,3-5,7,11H2,1-2H3,(H2,17,19)
InChIKeyHNTJVZDVORMOGG-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.74
Rot. Bonds7

About 3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine

3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 107819458) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine
PubChem CID107819458
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine
SMILESCCCCC(CC)Cn1cncc1-c1cccnc1N
InChIInChI=1S/C16H24N4/c1-3-5-7-13(4-2)11-20-12-18-10-15(20)14-8-6-9-19-16(14)17/h6,8-10,12-13H,3-5,7,11H2,1-2H3,(H2,17,19)
InChIKeyHNTJVZDVORMOGG-UHFFFAOYSA-N
XLogP3.74
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine (CID 107819458) is 3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine is CCCCC(CC)Cn1cncc1-c1cccnc1N.
What is the InChIKey of 3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is HNTJVZDVORMOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-5-7-13(4-2)11-20-12-18-10-15(20)14-8-6-9-19-16(14)17/h6,8-10,12-13H,3-5,7,11H2,1-2H3,(H2,17,19).
What are the key properties of 3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine?
3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 272.40 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 107819458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).