N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine

C13H18N4 — CID 82901884

IUPACN-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine
SMILESCCNC(Cc1ccccn1)c1cncn1C
InChIInChI=1S/C13H18N4/c1-3-15-12(13-9-14-10-17(13)2)8-11-6-4-5-7-16-11/h4-7,9-10,12,15H,3,8H2,1-2H3
InChIKeyQHWPTEWQMARMQE-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.71
Rot. Bonds5

About N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine

N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine (PubChem CID 82901884) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine
PubChem CID82901884
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC NameN-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine
SMILESCCNC(Cc1ccccn1)c1cncn1C
InChIInChI=1S/C13H18N4/c1-3-15-12(13-9-14-10-17(13)2)8-11-6-4-5-7-16-11/h4-7,9-10,12,15H,3,8H2,1-2H3
InChIKeyQHWPTEWQMARMQE-UHFFFAOYSA-N
XLogP1.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 82903504
[1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105264531
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604
N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 82902628
N-ethyl-1-(4-methyl-3-pyridinyl)-2-pyridin-2-ylethanamine
CID 66273129
N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82903762
N-ethyl-1-(2-methylphenyl)-2-pyridin-2-ylethanamine
CID 60819742
N-ethyl-1-(1-ethylimidazol-2-yl)-2-pyridin-2-ylethanamine
CID 63968337
2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82922938
2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82902496
N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine
CID 82903925
N-ethyl-2-pyridin-2-yl-1-quinoxalin-5-ylethanamine
CID 105157998

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine?
The IUPAC name of N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine (CID 82901884) is N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine?
The canonical SMILES for N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine is CCNC(Cc1ccccn1)c1cncn1C.
What is the InChIKey of N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine?
The InChIKey is QHWPTEWQMARMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-15-12(13-9-14-10-17(13)2)8-11-6-4-5-7-16-11/h4-7,9-10,12,15H,3,8H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine?
N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine has a molecular weight of 230.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 82901884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).