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

C11H21NO2 — CID 79866535

IUPAC5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCN(CCO)CC1CCC(C)(C)C1=O
InChIInChI=1S/C11H21NO2/c1-11(2)5-4-9(10(11)14)8-12(3)6-7-13/h9,13H,4-8H2,1-3H3
InChIKeyVLSHFGOCUNQQBL-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.92
Rot. Bonds4

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

5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one (PubChem CID 79866535) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
PubChem CID79866535
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCN(CCO)CC1CCC(C)(C)C1=O
InChIInChI=1S/C11H21NO2/c1-11(2)5-4-9(10(11)14)8-12(3)6-7-13/h9,13H,4-8H2,1-3H3
InChIKeyVLSHFGOCUNQQBL-UHFFFAOYSA-N
XLogP0.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 107204487
5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866129
5-[[butyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79867021
2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one
CID 79852451
2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one
CID 79865573
2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one
CID 112664506
6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79853156
5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866669
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
6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one
CID 69350867
5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866419

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
The IUPAC name of 5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one (CID 79866535) is 5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for 5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for 5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one is CN(CCO)CC1CCC(C)(C)C1=O.
What is the InChIKey of 5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
The InChIKey is VLSHFGOCUNQQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2)5-4-9(10(11)14)8-12(3)6-7-13/h9,13H,4-8H2,1-3H3.
What are the key properties of 5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one has a molecular weight of 199.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 79866535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).