N-ethoxy-N-ethylethanamine;hydrate

C6H17NO2 — CID 174815651

IUPACN-ethoxy-N-ethylethanamine;hydrate
SMILESCCON(CC)CC.O
InChIInChI=1S/C6H15NO.H2O/c1-4-7(5-2)8-6-3;/h4-6H2,1-3H3;1H2
InChIKeyWFXXUPAEWCGQAW-UHFFFAOYSA-N
MW135.21 g/mol
LogP0.46
Rot. Bonds4

About N-ethoxy-N-ethylethanamine;hydrate

N-ethoxy-N-ethylethanamine;hydrate (PubChem CID 174815651) has the molecular formula C6H17NO2 and a molecular weight of 135.21 g/mol. Its IUPAC name is N-ethoxy-N-ethylethanamine;hydrate.

Molecular Properties

Compound NameN-ethoxy-N-ethylethanamine;hydrate
PubChem CID174815651
Molecular FormulaC6H17NO2
Molecular Weight135.21 g/mol
Exact Mass135.13
IUPAC NameN-ethoxy-N-ethylethanamine;hydrate
SMILESCCON(CC)CC.O
InChIInChI=1S/C6H15NO.H2O/c1-4-7(5-2)8-6-3;/h4-6H2,1-3H3;1H2
InChIKeyWFXXUPAEWCGQAW-UHFFFAOYSA-N
XLogP0.46
TPSA43.97 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-N-ethylethanamine;hydrate?
The IUPAC name of N-ethoxy-N-ethylethanamine;hydrate (CID 174815651) is N-ethoxy-N-ethylethanamine;hydrate.
What is the SMILES notation for N-ethoxy-N-ethylethanamine;hydrate?
The canonical SMILES for N-ethoxy-N-ethylethanamine;hydrate is CCON(CC)CC.O.
What is the InChIKey of N-ethoxy-N-ethylethanamine;hydrate?
The InChIKey is WFXXUPAEWCGQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.H2O/c1-4-7(5-2)8-6-3;/h4-6H2,1-3H3;1H2.
What are the key properties of N-ethoxy-N-ethylethanamine;hydrate?
N-ethoxy-N-ethylethanamine;hydrate has a molecular weight of 135.21 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N-ethylethanamine;hydrate is sourced from PubChem (CID 174815651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).