N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine

C12H16N4 — CID 79041847

IUPACN-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine
SMILESCCn1ccnc1CNc1cccnc1C
InChIInChI=1S/C12H16N4/c1-3-16-8-7-14-12(16)9-15-11-5-4-6-13-10(11)2/h4-8,15H,3,9H2,1-2H3
InChIKeyCTEAVKXTYYVTRS-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.22
Rot. Bonds4

About N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine

N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine (PubChem CID 79041847) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine
PubChem CID79041847
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine
SMILESCCn1ccnc1CNc1cccnc1C
InChIInChI=1S/C12H16N4/c1-3-16-8-7-14-12(16)9-15-11-5-4-6-13-10(11)2/h4-8,15H,3,9H2,1-2H3
InChIKeyCTEAVKXTYYVTRS-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]-2-methylquinolin-8-amine
CID 62954974
2-bromo-3-chloro-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 103478138
2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 62351342
N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline
CID 62355714
N-[(1-ethylimidazol-2-yl)methyl]-1H-indazol-4-amine
CID 55064680
N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpyridin-3-amine
CID 115762824
6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine
CID 62357068
3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile
CID 62352424
N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 62356904
3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 62355893
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-iodoaniline
CID 55064679
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]-5-fluoroaniline
CID 113255916

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine (CID 79041847) is N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine is CCn1ccnc1CNc1cccnc1C.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine?
The InChIKey is CTEAVKXTYYVTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-16-8-7-14-12(16)9-15-11-5-4-6-13-10(11)2/h4-8,15H,3,9H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine?
N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine has a molecular weight of 216.29 g/mol, XLogP of 2.22, 4 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]-2-methylpyridin-3-amine is sourced from PubChem (CID 79041847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).