4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine

C14H20N4 — CID 62465994

IUPAC4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(Cn2ccnc2CC)ccn1
InChIInChI=1S/C14H20N4/c1-3-6-15-13-10-12(5-7-16-13)11-18-9-8-17-14(18)4-2/h5,7-10H,3-4,6,11H2,1-2H3,(H,15,16)
InChIKeyHGTQLHWUIBVFQL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.71
Rot. Bonds6

About 4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine

4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine (PubChem CID 62465994) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine
PubChem CID62465994
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(Cn2ccnc2CC)ccn1
InChIInChI=1S/C14H20N4/c1-3-6-15-13-10-12(5-7-16-13)11-18-9-8-17-14(18)4-2/h5,7-10H,3-4,6,11H2,1-2H3,(H,15,16)
InChIKeyHGTQLHWUIBVFQL-UHFFFAOYSA-N
XLogP2.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine (CID 62465994) is 4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine is CCCNc1cc(Cn2ccnc2CC)ccn1.
What is the InChIKey of 4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine?
The InChIKey is HGTQLHWUIBVFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-6-15-13-10-12(5-7-16-13)11-18-9-8-17-14(18)4-2/h5,7-10H,3-4,6,11H2,1-2H3,(H,15,16).
What are the key properties of 4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine?
4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62465994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).