2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone

C13H21N3O — CID 116579048

IUPAC2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1C(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H21N3O/c1-2-16-9-8-15-12(16)11(17)10-13(14)6-4-3-5-7-13/h8-9H,2-7,10,14H2,1H3
InChIKeyQCBVRHXCYXBDFO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds4

About 2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone

2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone (PubChem CID 116579048) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone
PubChem CID116579048
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1C(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H21N3O/c1-2-16-9-8-15-12(16)11(17)10-13(14)6-4-3-5-7-13/h8-9H,2-7,10,14H2,1H3
InChIKeyQCBVRHXCYXBDFO-UHFFFAOYSA-N
XLogP2.14
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone
CID 116599518
(1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone
CID 114973020
(1-ethylimidazol-2-yl)-(1-methoxycyclopentyl)methanone
CID 104610250
(1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone
CID 80683731
(1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone
CID 105101153
4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
CID 114973036
(2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
CID 107186966
1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
CID 116561163
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone
CID 63975424
2-(1-aminocyclopentyl)-1-(1-methylimidazol-4-yl)ethanone
CID 130509583

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone (CID 116579048) is 2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone is CCn1ccnc1C(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is QCBVRHXCYXBDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-16-9-8-15-12(16)11(17)10-13(14)6-4-3-5-7-13/h8-9H,2-7,10,14H2,1H3.
What are the key properties of 2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone?
2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 235.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 116579048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).