N-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine

C12H16N4 — CID 83127254

IUPACN-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine
SMILESCCNC(C)c1ccc(-n2ccnc2)cn1
InChIInChI=1S/C12H16N4/c1-3-14-10(2)12-5-4-11(8-15-12)16-7-6-13-9-16/h4-10,14H,3H2,1-2H3
InChIKeyXTAGXALYWMFEQY-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.94
Rot. Bonds4

About N-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine

N-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine (PubChem CID 83127254) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine
PubChem CID83127254
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine
SMILESCCNC(C)c1ccc(-n2ccnc2)cn1
InChIInChI=1S/C12H16N4/c1-3-14-10(2)12-5-4-11(8-15-12)16-7-6-13-9-16/h4-10,14H,3H2,1-2H3
InChIKeyXTAGXALYWMFEQY-UHFFFAOYSA-N
XLogP1.94
TPSA42.74 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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(5-morpholin-4-yl-2-pyridinyl)ethanamine
CID 83122280
N-ethyl-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83131415
1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine
CID 83111380
ethane;5-imidazol-1-yl-N-methylpyridin-2-amine
CID 169237763
N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine
CID 102883931
1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine
CID 83127474
3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 43201587
2-bromo-5-imidazol-1-ylpyridine
CID 66521352
N-ethyl-1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanamine
CID 83127461
1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine
CID 83121863
1-(4-butan-2-yloxyphenyl)imidazole
CID 91295981
1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 83117213

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine?
The IUPAC name of N-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine (CID 83127254) is N-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine is CCNC(C)c1ccc(-n2ccnc2)cn1.
What is the InChIKey of N-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine?
The InChIKey is XTAGXALYWMFEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-14-10(2)12-5-4-11(8-15-12)16-7-6-13-9-16/h4-10,14H,3H2,1-2H3.
What are the key properties of N-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine?
N-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine is sourced from PubChem (CID 83127254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).