2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol

C11H23NO2 — CID 80692164

IUPAC2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol
SMILESCC1(C)CCC(NCCOCCO)C1
InChIInChI=1S/C11H23NO2/c1-11(2)4-3-10(9-11)12-5-7-14-8-6-13/h10,12-13H,3-9H2,1-2H3
InChIKeyDSGWSOSRUODZOI-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.16
Rot. Bonds6

About 2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol

2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol (PubChem CID 80692164) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol
PubChem CID80692164
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol
SMILESCC1(C)CCC(NCCOCCO)C1
InChIInChI=1S/C11H23NO2/c1-11(2)4-3-10(9-11)12-5-7-14-8-6-13/h10,12-13H,3-9H2,1-2H3
InChIKeyDSGWSOSRUODZOI-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol 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 2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol (CID 80692164) is 2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol is CC1(C)CCC(NCCOCCO)C1.
What is the InChIKey of 2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol?
The InChIKey is DSGWSOSRUODZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2)4-3-10(9-11)12-5-7-14-8-6-13/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol?
2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol has a molecular weight of 201.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol is sourced from PubChem (CID 80692164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).