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

C8H19NO2 — CID 87508990

IUPACN-ethoxy-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCCON(CC)OC(C)(C)C
InChIInChI=1S/C8H19NO2/c1-6-9(10-7-2)11-8(3,4)5/h6-7H2,1-5H3
InChIKeyLGPKVGIWGZCSNB-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.99
Rot. Bonds4

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

N-ethoxy-N-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 87508990) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is N-ethoxy-N-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound NameN-ethoxy-N-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID87508990
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC NameN-ethoxy-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCCON(CC)OC(C)(C)C
InChIInChI=1S/C8H19NO2/c1-6-9(10-7-2)11-8(3,4)5/h6-7H2,1-5H3
InChIKeyLGPKVGIWGZCSNB-UHFFFAOYSA-N
XLogP1.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-ethoxy-N-[(2-methylpropan-2-yl)oxy]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-ethoxy-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of N-ethoxy-N-[(2-methylpropan-2-yl)oxy]ethanamine (CID 87508990) is N-ethoxy-N-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for N-ethoxy-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for N-ethoxy-N-[(2-methylpropan-2-yl)oxy]ethanamine is CCON(CC)OC(C)(C)C.
What is the InChIKey of N-ethoxy-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is LGPKVGIWGZCSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-6-9(10-7-2)11-8(3,4)5/h6-7H2,1-5H3.
What are the key properties of N-ethoxy-N-[(2-methylpropan-2-yl)oxy]ethanamine?
N-ethoxy-N-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 161.24 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 87508990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).