2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine

C14H21N5 — CID 107500773

IUPAC2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine
SMILESCCN(Cc1ccncc1)Cc1cn(CCN)cn1
InChIInChI=1S/C14H21N5/c1-2-18(9-13-3-6-16-7-4-13)10-14-11-19(8-5-15)12-17-14/h3-4,6-7,11-12H,2,5,8-10,15H2,1H3
InChIKeySDKBBXIZVGXSAC-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.26
Rot. Bonds7

About 2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine

2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine (PubChem CID 107500773) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine
PubChem CID107500773
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine
SMILESCCN(Cc1ccncc1)Cc1cn(CCN)cn1
InChIInChI=1S/C14H21N5/c1-2-18(9-13-3-6-16-7-4-13)10-14-11-19(8-5-15)12-17-14/h3-4,6-7,11-12H,2,5,8-10,15H2,1H3
InChIKeySDKBBXIZVGXSAC-UHFFFAOYSA-N
XLogP1.26
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine
CID 107500626
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylpentan-3-amine
CID 107500690
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine
CID 82468655
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride
CID 131637694
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine
CID 107501185
6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine
CID 79242738
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline
CID 107500828
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 107500807
2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107500649
N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62470558
(1-butylimidazol-4-yl)methanamine
CID 82467842
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 107500896

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine (CID 107500773) is 2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine is CCN(Cc1ccncc1)Cc1cn(CCN)cn1.
What is the InChIKey of 2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine?
The InChIKey is SDKBBXIZVGXSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-18(9-13-3-6-16-7-4-13)10-14-11-19(8-5-15)12-17-14/h3-4,6-7,11-12H,2,5,8-10,15H2,1H3.
What are the key properties of 2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine?
2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine has a molecular weight of 259.36 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine is sourced from PubChem (CID 107500773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).