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

C14H18N4 — CID 114722229

IUPAC3-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-4-amine
SMILESNc1ccncc1-c1cncn1CCC1CCC1
InChIInChI=1S/C14H18N4/c15-13-4-6-16-8-12(13)14-9-17-10-18(14)7-5-11-2-1-3-11/h4,6,8-11H,1-3,5,7H2,(H2,15,16)
InChIKeyYLCUAHGGBNQBCH-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.72
Rot. Bonds4

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

3-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-4-amine (PubChem CID 114722229) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-4-amine
PubChem CID114722229
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name3-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-4-amine
SMILESNc1ccncc1-c1cncn1CCC1CCC1
InChIInChI=1S/C14H18N4/c15-13-4-6-16-8-12(13)14-9-17-10-18(14)7-5-11-2-1-3-11/h4,6,8-11H,1-3,5,7H2,(H2,15,16)
InChIKeyYLCUAHGGBNQBCH-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 3-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-4-amine (CID 114722229) is 3-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-4-amine is Nc1ccncc1-c1cncn1CCC1CCC1.
What is the InChIKey of 3-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-4-amine?
The InChIKey is YLCUAHGGBNQBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-13-4-6-16-8-12(13)14-9-17-10-18(14)7-5-11-2-1-3-11/h4,6,8-11H,1-3,5,7H2,(H2,15,16).
What are the key properties of 3-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-4-amine?
3-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-4-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 3-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 114722229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).