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

C14H27NO2 — CID 107204487

IUPAC5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCN(CCCCCO)CC1CCC(C)(C)C1=O
InChIInChI=1S/C14H27NO2/c1-14(2)8-7-12(13(14)17)11-15(3)9-5-4-6-10-16/h12,16H,4-11H2,1-3H3
InChIKeyMSIUIJKNNXYXCN-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.09
Rot. Bonds7

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

5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one (PubChem CID 107204487) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
PubChem CID107204487
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCN(CCCCCO)CC1CCC(C)(C)C1=O
InChIInChI=1S/C14H27NO2/c1-14(2)8-7-12(13(14)17)11-15(3)9-5-4-6-10-16/h12,16H,4-11H2,1-3H3
InChIKeyMSIUIJKNNXYXCN-UHFFFAOYSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
The IUPAC name of 5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one (CID 107204487) is 5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for 5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for 5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one is CN(CCCCCO)CC1CCC(C)(C)C1=O.
What is the InChIKey of 5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
The InChIKey is MSIUIJKNNXYXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2)8-7-12(13(14)17)11-15(3)9-5-4-6-10-16/h12,16H,4-11H2,1-3H3.
What are the key properties of 5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 107204487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).