[1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone

C14H23N3O — CID 107501563

IUPAC[1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2cn(CCN)cn2)CC1
InChIInChI=1S/C14H23N3O/c1-2-11-3-5-12(6-4-11)14(18)13-9-17(8-7-15)10-16-13/h9-12H,2-8,15H2,1H3
InChIKeyPOMYKFQWEWLFNW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.24
Rot. Bonds5

About [1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone

[1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone (PubChem CID 107501563) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone
PubChem CID107501563
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2cn(CCN)cn2)CC1
InChIInChI=1S/C14H23N3O/c1-2-11-3-5-12(6-4-11)14(18)13-9-17(8-7-15)10-16-13/h9-12H,2-8,15H2,1H3
InChIKeyPOMYKFQWEWLFNW-UHFFFAOYSA-N
XLogP2.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide
CID 107497382
1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone
CID 107501388
2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 106202988
4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 107497522
1-(2-aminoethyl)-N-(2-ethylcyclohexyl)imidazole-4-carboxamide
CID 107496463
1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide
CID 107498035
[1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 107498501
3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-yl)methanone
CID 130509710
1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide
CID 107498649
1-(2-aminoethyl)-N-(2-methylcyclopropyl)imidazole-4-carboxamide
CID 107498238
[1-(2-aminoethyl)imidazol-4-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 107499858
cyclohexyl-(1-methylimidazol-4-yl)methanone
CID 107976351

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone?
The IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone (CID 107501563) is [1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone.
What is the SMILES notation for [1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone?
The canonical SMILES for [1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone is CCC1CCC(C(=O)c2cn(CCN)cn2)CC1.
What is the InChIKey of [1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone?
The InChIKey is POMYKFQWEWLFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-11-3-5-12(6-4-11)14(18)13-9-17(8-7-15)10-16-13/h9-12H,2-8,15H2,1H3.
What are the key properties of [1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone?
[1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone has a molecular weight of 249.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone is sourced from PubChem (CID 107501563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).