(1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine

C13H18N4 — CID 81401652

IUPAC(1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCCn1ccnc1CN[C@H](C)c1ccccn1
InChIInChI=1S/C13H18N4/c1-3-17-9-8-15-13(17)10-16-11(2)12-6-4-5-7-14-12/h4-9,11,16H,3,10H2,1-2H3/t11-/m1/s1
InChIKeyHASQFSUDQZCXHF-LLVKDONJSA-N
MW230.32 g/mol
LogP2.15
Rot. Bonds5

About (1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine

(1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 81401652) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is (1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
PubChem CID81401652
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name(1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCCn1ccnc1CN[C@H](C)c1ccccn1
InChIInChI=1S/C13H18N4/c1-3-17-9-8-15-13(17)10-16-11(2)12-6-4-5-7-14-12/h4-9,11,16H,3,10H2,1-2H3/t11-/m1/s1
InChIKeyHASQFSUDQZCXHF-LLVKDONJSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398756
(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol
CID 114985494
2-(1-ethylimidazol-2-yl)-1-pyridin-2-ylethanol
CID 79743859
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 94410101
N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841853
(1S)-1-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437978
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
(1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401978
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 62998610
N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine
CID 115688184
2-ethyl-N-[(1R)-1-pyridin-2-ylethyl]butan-1-amine
CID 28647872

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine (CID 81401652) is (1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine is CCn1ccnc1CN[C@H](C)c1ccccn1.
What is the InChIKey of (1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is HASQFSUDQZCXHF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-17-9-8-15-13(17)10-16-11(2)12-6-4-5-7-14-12/h4-9,11,16H,3,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine?
(1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 230.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 81401652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).