N'-ethoxy-N'-propoxyethane-1,2-diamine

C7H18N2O2 — CID 87598750

IUPACN'-ethoxy-N'-propoxyethane-1,2-diamine
SMILESCCCON(CCN)OCC
InChIInChI=1S/C7H18N2O2/c1-3-7-11-9(6-5-8)10-4-2/h3-8H2,1-2H3
InChIKeyFOSAAYGIPKXTPY-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.54
Rot. Bonds7

About N'-ethoxy-N'-propoxyethane-1,2-diamine

N'-ethoxy-N'-propoxyethane-1,2-diamine (PubChem CID 87598750) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is N'-ethoxy-N'-propoxyethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethoxy-N'-propoxyethane-1,2-diamine
PubChem CID87598750
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC NameN'-ethoxy-N'-propoxyethane-1,2-diamine
SMILESCCCON(CCN)OCC
InChIInChI=1S/C7H18N2O2/c1-3-7-11-9(6-5-8)10-4-2/h3-8H2,1-2H3
InChIKeyFOSAAYGIPKXTPY-UHFFFAOYSA-N
XLogP0.54
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-ethoxy-N'-propoxyethane-1,2-diamine 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'-propoxyethane-1,2-diamine?
The IUPAC name of N'-ethoxy-N'-propoxyethane-1,2-diamine (CID 87598750) is N'-ethoxy-N'-propoxyethane-1,2-diamine.
What is the SMILES notation for N'-ethoxy-N'-propoxyethane-1,2-diamine?
The canonical SMILES for N'-ethoxy-N'-propoxyethane-1,2-diamine is CCCON(CCN)OCC.
What is the InChIKey of N'-ethoxy-N'-propoxyethane-1,2-diamine?
The InChIKey is FOSAAYGIPKXTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2/c1-3-7-11-9(6-5-8)10-4-2/h3-8H2,1-2H3.
What are the key properties of N'-ethoxy-N'-propoxyethane-1,2-diamine?
N'-ethoxy-N'-propoxyethane-1,2-diamine has a molecular weight of 162.23 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethoxy-N'-propoxyethane-1,2-diamine is sourced from PubChem (CID 87598750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).