ethanamine;ethoxyethane

C6H17NO — CID 87409390

IUPACethanamine;ethoxyethane
SMILESCCN.CCOCC
InChIInChI=1S/C4H10O.C2H7N/c1-3-5-4-2;1-2-3/h3-4H2,1-2H3;2-3H2,1H3
InChIKeyKSWLLUCABKQENZ-UHFFFAOYSA-N
MW119.21 g/mol
LogP1.01
Rot. Bonds2

About ethanamine;ethoxyethane

ethanamine;ethoxyethane (PubChem CID 87409390) has the molecular formula C6H17NO and a molecular weight of 119.21 g/mol. Its IUPAC name is ethanamine;ethoxyethane.

Molecular Properties

Compound Nameethanamine;ethoxyethane
PubChem CID87409390
Molecular FormulaC6H17NO
Molecular Weight119.21 g/mol
Exact Mass119.13
IUPAC Nameethanamine;ethoxyethane
SMILESCCN.CCOCC
InChIInChI=1S/C4H10O.C2H7N/c1-3-5-4-2;1-2-3/h3-4H2,1-2H3;2-3H2,1H3
InChIKeyKSWLLUCABKQENZ-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethanamine;ethoxyethane 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 ethanamine;ethoxyethane?
The IUPAC name of ethanamine;ethoxyethane (CID 87409390) is ethanamine;ethoxyethane.
What is the SMILES notation for ethanamine;ethoxyethane?
The canonical SMILES for ethanamine;ethoxyethane is CCN.CCOCC.
What is the InChIKey of ethanamine;ethoxyethane?
The InChIKey is KSWLLUCABKQENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H7N/c1-3-5-4-2;1-2-3/h3-4H2,1-2H3;2-3H2,1H3.
What are the key properties of ethanamine;ethoxyethane?
ethanamine;ethoxyethane has a molecular weight of 119.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;ethoxyethane is sourced from PubChem (CID 87409390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).