5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one

C13H25NO2 — CID 79867026

IUPAC5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCCN(CCOC)CC1CCC(C)(C)C1=O
InChIInChI=1S/C13H25NO2/c1-5-14(8-9-16-4)10-11-6-7-13(2,3)12(11)15/h11H,5-10H2,1-4H3
InChIKeyXYAZPFOESNYZDX-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds6

About 5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one

5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one (PubChem CID 79867026) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
PubChem CID79867026
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCCN(CCOC)CC1CCC(C)(C)C1=O
InChIInChI=1S/C13H25NO2/c1-5-14(8-9-16-4)10-11-6-7-13(2,3)12(11)15/h11H,5-10H2,1-4H3
InChIKeyXYAZPFOESNYZDX-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one with MolForge

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Related Compounds

5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866669
6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79852372
4-ethyl-2-[[ethyl(2-methoxyethyl)amino]methyl]cyclohexan-1-one
CID 62612886
5-[[butyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79867021
5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79867013
6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79853251
5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866535
6-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79848872
6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79853156
5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one
CID 79865978
5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 107204487
2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one
CID 79852451

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
The IUPAC name of 5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one (CID 79867026) is 5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for 5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for 5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one is CCN(CCOC)CC1CCC(C)(C)C1=O.
What is the InChIKey of 5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
The InChIKey is XYAZPFOESNYZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-14(8-9-16-4)10-11-6-7-13(2,3)12(11)15/h11H,5-10H2,1-4H3.
What are the key properties of 5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one has a molecular weight of 227.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 79867026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).