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

C14H18N4 — CID 114722232

IUPAC4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cncn2CCC2CCC2)ccn1
InChIInChI=1S/C14H18N4/c15-14-8-12(4-6-17-14)13-9-16-10-18(13)7-5-11-2-1-3-11/h4,6,8-11H,1-3,5,7H2,(H2,15,17)
InChIKeyZMHWSXKAAPEJDL-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.72
Rot. Bonds4

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

4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114722232) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114722232
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cncn2CCC2CCC2)ccn1
InChIInChI=1S/C14H18N4/c15-14-8-12(4-6-17-14)13-9-16-10-18(13)7-5-11-2-1-3-11/h4,6,8-11H,1-3,5,7H2,(H2,15,17)
InChIKeyZMHWSXKAAPEJDL-UHFFFAOYSA-N
XLogP2.72
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine (CID 114722232) is 4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine is Nc1cc(-c2cncn2CCC2CCC2)ccn1.
What is the InChIKey of 4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is ZMHWSXKAAPEJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-14-8-12(4-6-17-14)13-9-16-10-18(13)7-5-11-2-1-3-11/h4,6,8-11H,1-3,5,7H2,(H2,15,17).
What are the key properties of 4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine?
4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114722232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).