2-[2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethoxy]ethanol

C13H27NO3 — CID 65168139

IUPAC2-[2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethoxy]ethanol
SMILESCCOC1CC(NCCOCCO)C1(C)CC
InChIInChI=1S/C13H27NO3/c1-4-13(3)11(10-12(13)17-5-2)14-6-8-16-9-7-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyOWNVMUANPISVPB-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.18
Rot. Bonds9

About 2-[2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethoxy]ethanol

2-[2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethoxy]ethanol (PubChem CID 65168139) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 2-[2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethoxy]ethanol
PubChem CID65168139
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name2-[2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethoxy]ethanol
SMILESCCOC1CC(NCCOCCO)C1(C)CC
InChIInChI=1S/C13H27NO3/c1-4-13(3)11(10-12(13)17-5-2)14-6-8-16-9-7-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyOWNVMUANPISVPB-UHFFFAOYSA-N
XLogP1.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)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-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethoxy]ethanol (CID 65168139) is 2-[2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethoxy]ethanol is CCOC1CC(NCCOCCO)C1(C)CC.
What is the InChIKey of 2-[2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethoxy]ethanol?
The InChIKey is OWNVMUANPISVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-4-13(3)11(10-12(13)17-5-2)14-6-8-16-9-7-15/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 2-[2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethoxy]ethanol?
2-[2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethoxy]ethanol has a molecular weight of 245.36 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethoxy]ethanol is sourced from PubChem (CID 65168139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).