4-[2-(1-ethylimidazol-2-yl)ethyl]pyridin-2-amine

C12H16N4 — CID 79760806

IUPAC4-[2-(1-ethylimidazol-2-yl)ethyl]pyridin-2-amine
SMILESCCn1ccnc1CCc1ccnc(N)c1
InChIInChI=1S/C12H16N4/c1-2-16-8-7-15-12(16)4-3-10-5-6-14-11(13)9-10/h5-9H,2-4H2,1H3,(H2,13,14)
InChIKeyYCCKRKAHDPUHBQ-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.67
Rot. Bonds4

About 4-[2-(1-ethylimidazol-2-yl)ethyl]pyridin-2-amine

4-[2-(1-ethylimidazol-2-yl)ethyl]pyridin-2-amine (PubChem CID 79760806) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-[2-(1-ethylimidazol-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(1-ethylimidazol-2-yl)ethyl]pyridin-2-amine
PubChem CID79760806
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-[2-(1-ethylimidazol-2-yl)ethyl]pyridin-2-amine
SMILESCCn1ccnc1CCc1ccnc(N)c1
InChIInChI=1S/C12H16N4/c1-2-16-8-7-15-12(16)4-3-10-5-6-14-11(13)9-10/h5-9H,2-4H2,1H3,(H2,13,14)
InChIKeyYCCKRKAHDPUHBQ-UHFFFAOYSA-N
XLogP1.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-ethylimidazol-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-(1-ethylimidazol-2-yl)ethyl]pyridin-2-amine (CID 79760806) is 4-[2-(1-ethylimidazol-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(1-ethylimidazol-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(1-ethylimidazol-2-yl)ethyl]pyridin-2-amine is CCn1ccnc1CCc1ccnc(N)c1.
What is the InChIKey of 4-[2-(1-ethylimidazol-2-yl)ethyl]pyridin-2-amine?
The InChIKey is YCCKRKAHDPUHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-16-8-7-15-12(16)4-3-10-5-6-14-11(13)9-10/h5-9H,2-4H2,1H3,(H2,13,14).
What are the key properties of 4-[2-(1-ethylimidazol-2-yl)ethyl]pyridin-2-amine?
4-[2-(1-ethylimidazol-2-yl)ethyl]pyridin-2-amine has a molecular weight of 216.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-ethylimidazol-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 79760806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).