2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone

C12H19N3O — CID 116599518

IUPAC2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1C(=O)CC1(CN)CCC1
InChIInChI=1S/C12H19N3O/c1-2-15-7-6-14-11(15)10(16)8-12(9-13)4-3-5-12/h6-7H,2-5,8-9,13H2,1H3
InChIKeyLOJHAAMELXLBDC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.60
Rot. Bonds5

About 2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone

2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone (PubChem CID 116599518) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone
PubChem CID116599518
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1C(=O)CC1(CN)CCC1
InChIInChI=1S/C12H19N3O/c1-2-15-7-6-14-11(15)10(16)8-12(9-13)4-3-5-12/h6-7H,2-5,8-9,13H2,1H3
InChIKeyLOJHAAMELXLBDC-UHFFFAOYSA-N
XLogP1.60
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone 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-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone
CID 116599367
2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone
CID 116579048
(1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone
CID 114973020
2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone
CID 116599519
(1-ethylimidazol-2-yl)-(1-methoxycyclopentyl)methanone
CID 104610250
4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116607603
3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
CID 114973036
(1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone
CID 80683731
1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone
CID 103986228
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone
CID 116588362
1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
CID 116561163

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone (CID 116599518) is 2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone is CCn1ccnc1C(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is LOJHAAMELXLBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15-7-6-14-11(15)10(16)8-12(9-13)4-3-5-12/h6-7H,2-5,8-9,13H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone?
2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 221.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 116599518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).