N-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine

C12H16N4 — CID 66116744

IUPACN-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCCn1cncc1CNCc1ccccn1
InChIInChI=1S/C12H16N4/c1-2-16-10-14-9-12(16)8-13-7-11-5-3-4-6-15-11/h3-6,9-10,13H,2,7-8H2,1H3
InChIKeyZSEWWPSBLKDDJH-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.59
Rot. Bonds5

About N-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine

N-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 66116744) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID66116744
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCCn1cncc1CNCc1ccccn1
InChIInChI=1S/C12H16N4/c1-2-16-10-14-9-12(16)8-13-7-11-5-3-4-6-15-11/h3-6,9-10,13H,2,7-8H2,1H3
InChIKeyZSEWWPSBLKDDJH-UHFFFAOYSA-N
XLogP1.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine (CID 66116744) is N-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine is CCn1cncc1CNCc1ccccn1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is ZSEWWPSBLKDDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-16-10-14-9-12(16)8-13-7-11-5-3-4-6-15-11/h3-6,9-10,13H,2,7-8H2,1H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine?
N-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 66116744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).