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

C12H16N4 — CID 62355684

IUPACN-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESCCn1ccnc1CNCc1ccncc1
InChIInChI=1S/C12H16N4/c1-2-16-8-7-15-12(16)10-14-9-11-3-5-13-6-4-11/h3-8,14H,2,9-10H2,1H3
InChIKeyWFHXKQRHONMJJH-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.59
Rot. Bonds5

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

N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 62355684) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID62355684
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESCCn1ccnc1CNCc1ccncc1
InChIInChI=1S/C12H16N4/c1-2-16-8-7-15-12(16)10-14-9-11-3-5-13-6-4-11/h3-8,14H,2,9-10H2,1H3
InChIKeyWFHXKQRHONMJJH-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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Related Compounds

1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine
CID 91928165
N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine
CID 62357739
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79738825
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106834150
1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738325
N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 115405976
2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064912
1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine
CID 62350136
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine
CID 106393163

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine (CID 62355684) is N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine is CCn1ccnc1CNCc1ccncc1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is WFHXKQRHONMJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-16-8-7-15-12(16)10-14-9-11-3-5-13-6-4-11/h3-8,14H,2,9-10H2,1H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine?
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-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-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 62355684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).