N-ethyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethanamine

C12H27NO3 — CID 135278983

IUPACN-ethyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethanamine
SMILESCCNCCOCCOCCOC(C)(C)C
InChIInChI=1S/C12H27NO3/c1-5-13-6-7-14-8-9-15-10-11-16-12(2,3)4/h13H,5-11H2,1-4H3
InChIKeyWECPUMPIAZWCBF-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.44
Rot. Bonds10

About N-ethyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethanamine

N-ethyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethanamine (PubChem CID 135278983) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is N-ethyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethanamine
PubChem CID135278983
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC NameN-ethyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethanamine
SMILESCCNCCOCCOCCOC(C)(C)C
InChIInChI=1S/C12H27NO3/c1-5-13-6-7-14-8-9-15-10-11-16-12(2,3)4/h13H,5-11H2,1-4H3
InChIKeyWECPUMPIAZWCBF-UHFFFAOYSA-N
XLogP1.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethanamine 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 N-ethyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of N-ethyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethanamine (CID 135278983) is N-ethyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethanamine is CCNCCOCCOCCOC(C)(C)C.
What is the InChIKey of N-ethyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethanamine?
The InChIKey is WECPUMPIAZWCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-5-13-6-7-14-8-9-15-10-11-16-12(2,3)4/h13H,5-11H2,1-4H3.
What are the key properties of N-ethyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethanamine?
N-ethyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethanamine has a molecular weight of 233.35 g/mol, XLogP of 1.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 135278983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).