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

C11H19N3O — CID 116610931

IUPAC2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
SMILESCCn1ccnc1C(=O)C(C)(CC)CN
InChIInChI=1S/C11H19N3O/c1-4-11(3,8-12)9(15)10-13-6-7-14(10)5-2/h6-7H,4-5,8,12H2,1-3H3
InChIKeyGXPWBNKSLVLIMD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.46
Rot. Bonds5

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

2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one (PubChem CID 116610931) 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)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
PubChem CID116610931
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
SMILESCCn1ccnc1C(=O)C(C)(CC)CN
InChIInChI=1S/C11H19N3O/c1-4-11(3,8-12)9(15)10-13-6-7-14(10)5-2/h6-7H,4-5,8,12H2,1-3H3
InChIKeyGXPWBNKSLVLIMD-UHFFFAOYSA-N
XLogP1.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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)-2-methylbutan-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

1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446629
2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
CID 79052166
2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one
CID 116710204
1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one
CID 63975640
4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one
CID 103023250
1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 79064858
[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116548266
3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116610902
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
3-amino-1-(1-ethylimidazol-2-yl)-5,5-dimethylhexan-1-one
CID 116614691
1-(1-ethylimidazol-2-yl)prop-2-en-1-one
CID 103453576

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one (CID 116610931) is 2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one is CCn1ccnc1C(=O)C(C)(CC)CN.
What is the InChIKey of 2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one?
The InChIKey is GXPWBNKSLVLIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-11(3,8-12)9(15)10-13-6-7-14(10)5-2/h6-7H,4-5,8,12H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one?
2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.46, 5 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)-2-methylbutan-1-one is sourced from PubChem (CID 116610931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).