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

C12H23NO2 — CID 79866129

IUPAC5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCC(O)CN(C)CC1CCC(C)(C)C1=O
InChIInChI=1S/C12H23NO2/c1-9(14)7-13(4)8-10-5-6-12(2,3)11(10)15/h9-10,14H,5-8H2,1-4H3
InChIKeyHIEGJXAQRRRQOP-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.30
Rot. Bonds4

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

5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one (PubChem CID 79866129) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
PubChem CID79866129
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCC(O)CN(C)CC1CCC(C)(C)C1=O
InChIInChI=1S/C12H23NO2/c1-9(14)7-13(4)8-10-5-6-12(2,3)11(10)15/h9-10,14H,5-8H2,1-4H3
InChIKeyHIEGJXAQRRRQOP-UHFFFAOYSA-N
XLogP1.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866535
5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 107204487
5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79867013
5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79856126
2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one
CID 79852451
6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 104554486
6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one
CID 69350867
2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one
CID 79865573
5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866669
6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848357
5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866419
2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one
CID 112664506

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
The IUPAC name of 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one (CID 79866129) is 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one is CC(O)CN(C)CC1CCC(C)(C)C1=O.
What is the InChIKey of 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
The InChIKey is HIEGJXAQRRRQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(14)7-13(4)8-10-5-6-12(2,3)11(10)15/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 79866129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).