2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one

C11H19N3O — CID 116574576

IUPAC2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one
SMILESCCCC(CN)C(=O)c1nccn1CC
InChIInChI=1S/C11H19N3O/c1-3-5-9(8-12)10(15)11-13-6-7-14(11)4-2/h6-7,9H,3-5,8,12H2,1-2H3
InChIKeyBTKXKLGQPHKGDT-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.46
Rot. Bonds6

About 2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one

2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one (PubChem CID 116574576) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one
PubChem CID116574576
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one
SMILESCCCC(CN)C(=O)c1nccn1CC
InChIInChI=1S/C11H19N3O/c1-3-5-9(8-12)10(15)11-13-6-7-14(11)4-2/h6-7,9H,3-5,8,12H2,1-2H3
InChIKeyBTKXKLGQPHKGDT-UHFFFAOYSA-N
XLogP1.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one 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

2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one
CID 116598013
5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116607603
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
ethyl 2-[(1-ethylimidazol-2-yl)methyl]pentanoate
CID 83043651
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one
CID 42111025
1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one
CID 114972994
2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone
CID 112574278
2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
CID 116610931
2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one
CID 116574417
1-(1-ethylimidazol-2-yl)prop-2-en-1-one
CID 103453576
3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol
CID 63215997
[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116548266

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one (CID 116574576) is 2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one is CCCC(CN)C(=O)c1nccn1CC.
What is the InChIKey of 2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one?
The InChIKey is BTKXKLGQPHKGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-5-9(8-12)10(15)11-13-6-7-14(11)4-2/h6-7,9H,3-5,8,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one?
2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one is sourced from PubChem (CID 116574576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).