2-[cyclohexyl(ethyl)amino]-1-(oxolan-3-yl)ethanone

C14H25NO2 — CID 104749894

IUPAC2-[cyclohexyl(ethyl)amino]-1-(oxolan-3-yl)ethanone
SMILESCCN(CC(=O)C1CCOC1)C1CCCCC1
InChIInChI=1S/C14H25NO2/c1-2-15(13-6-4-3-5-7-13)10-14(16)12-8-9-17-11-12/h12-13H,2-11H2,1H3
InChIKeyLFEGTCSHJFIULB-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.25
Rot. Bonds5

About 2-[cyclohexyl(ethyl)amino]-1-(oxolan-3-yl)ethanone

2-[cyclohexyl(ethyl)amino]-1-(oxolan-3-yl)ethanone (PubChem CID 104749894) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[cyclohexyl(ethyl)amino]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[cyclohexyl(ethyl)amino]-1-(oxolan-3-yl)ethanone
PubChem CID104749894
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[cyclohexyl(ethyl)amino]-1-(oxolan-3-yl)ethanone
SMILESCCN(CC(=O)C1CCOC1)C1CCCCC1
InChIInChI=1S/C14H25NO2/c1-2-15(13-6-4-3-5-7-13)10-14(16)12-8-9-17-11-12/h12-13H,2-11H2,1H3
InChIKeyLFEGTCSHJFIULB-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethyl)amino]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[cyclohexyl(ethyl)amino]-1-(oxolan-3-yl)ethanone (CID 104749894) is 2-[cyclohexyl(ethyl)amino]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[cyclohexyl(ethyl)amino]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[cyclohexyl(ethyl)amino]-1-(oxolan-3-yl)ethanone is CCN(CC(=O)C1CCOC1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethyl)amino]-1-(oxolan-3-yl)ethanone?
The InChIKey is LFEGTCSHJFIULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-15(13-6-4-3-5-7-13)10-14(16)12-8-9-17-11-12/h12-13H,2-11H2,1H3.
What are the key properties of 2-[cyclohexyl(ethyl)amino]-1-(oxolan-3-yl)ethanone?
2-[cyclohexyl(ethyl)amino]-1-(oxolan-3-yl)ethanone has a molecular weight of 239.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethyl)amino]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104749894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).