N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine

C13H18N4 — CID 66147331

IUPACN-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1CCc1ccccn1
InChIInChI=1S/C13H18N4/c1-2-14-9-13-10-15-11-17(13)8-6-12-5-3-4-7-16-12/h3-5,7,10-11,14H,2,6,8-9H2,1H3
InChIKeyFFRJIKZHIOGSAA-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.63
Rot. Bonds6

About N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine

N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 66147331) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine
PubChem CID66147331
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1CCc1ccccn1
InChIInChI=1S/C13H18N4/c1-2-14-9-13-10-15-11-17(13)8-6-12-5-3-4-7-16-12/h3-5,7,10-11,14H,2,6,8-9H2,1H3
InChIKeyFFRJIKZHIOGSAA-UHFFFAOYSA-N
XLogP1.63
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146912
N-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
CID 66116744
N-methyl-1-[3-(pyridin-2-ylmethyl)imidazol-4-yl]methanamine
CID 66147540
N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine
CID 66409305
N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine
CID 66149891
N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 66152219
N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66154561
N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 59134802
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine
CID 66130149
N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine
CID 103466378
3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 66130980

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine (CID 66147331) is N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine is CCNCc1cncn1CCc1ccccn1.
What is the InChIKey of N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is FFRJIKZHIOGSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-14-9-13-10-15-11-17(13)8-6-12-5-3-4-7-16-12/h3-5,7,10-11,14H,2,6,8-9H2,1H3.
What are the key properties of N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine?
N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66147331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).