1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone

C14H21NO2 — CID 104651513

IUPAC1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone
SMILESCCN(c1ccc(C(C)=O)o1)C1CCCCC1
InChIInChI=1S/C14H21NO2/c1-3-15(12-7-5-4-6-8-12)14-10-9-13(17-14)11(2)16/h9-10,12H,3-8H2,1-2H3
InChIKeyFZNCPUQXDVMVKA-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.64
Rot. Bonds4

About 1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone

1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone (PubChem CID 104651513) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone
PubChem CID104651513
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone
SMILESCCN(c1ccc(C(C)=O)o1)C1CCCCC1
InChIInChI=1S/C14H21NO2/c1-3-15(12-7-5-4-6-8-12)14-10-9-13(17-14)11(2)16/h9-10,12H,3-8H2,1-2H3
InChIKeyFZNCPUQXDVMVKA-UHFFFAOYSA-N
XLogP3.64
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[cyclopentyl(methyl)amino]furan-2-yl]ethanone
CID 104651543
1-[5-(diethylamino)furan-2-yl]ethanone
CID 82375806
5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid
CID 102863254
1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone
CID 104651800
5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid
CID 102863170
1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone
CID 113437412
1-[5-[1-cyclopropylethyl(methyl)amino]furan-2-yl]ethanone
CID 104651567
1-[4-[cyclopentyl(ethyl)amino]-3-nitrophenyl]ethanone
CID 43541256
1-[5-[(1R)-2-amino-3-cyclohexyl-1-hydroxypropyl]furan-2-yl]ethanone
CID 70041422
2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline
CID 81148757
4-[cyclopentyl(ethyl)amino]-2,3-difluorobenzoic acid
CID 107935599
4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide
CID 63360545

Frequently Asked Questions

What is the IUPAC name of 1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone?
The IUPAC name of 1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone (CID 104651513) is 1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone?
The canonical SMILES for 1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone is CCN(c1ccc(C(C)=O)o1)C1CCCCC1.
What is the InChIKey of 1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone?
The InChIKey is FZNCPUQXDVMVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-15(12-7-5-4-6-8-12)14-10-9-13(17-14)11(2)16/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone?
1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone has a molecular weight of 235.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone is sourced from PubChem (CID 104651513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).