N-ethyl-2-(oxan-2-yloxy)ethanamine

C9H19NO2 — CID 14435554

IUPACN-ethyl-2-(oxan-2-yloxy)ethanamine
SMILESCCNCCOC1CCCCO1
InChIInChI=1S/C9H19NO2/c1-2-10-6-8-12-9-5-3-4-7-11-9/h9-10H,2-8H2,1H3
InChIKeyRYUDKJGJFIGBHQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.14
Rot. Bonds5

About N-ethyl-2-(oxan-2-yloxy)ethanamine

N-ethyl-2-(oxan-2-yloxy)ethanamine (PubChem CID 14435554) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-ethyl-2-(oxan-2-yloxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(oxan-2-yloxy)ethanamine
PubChem CID14435554
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-ethyl-2-(oxan-2-yloxy)ethanamine
SMILESCCNCCOC1CCCCO1
InChIInChI=1S/C9H19NO2/c1-2-10-6-8-12-9-5-3-4-7-11-9/h9-10H,2-8H2,1H3
InChIKeyRYUDKJGJFIGBHQ-UHFFFAOYSA-N
XLogP1.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxan-2-yloxy)ethanamine?
The IUPAC name of N-ethyl-2-(oxan-2-yloxy)ethanamine (CID 14435554) is N-ethyl-2-(oxan-2-yloxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(oxan-2-yloxy)ethanamine?
The canonical SMILES for N-ethyl-2-(oxan-2-yloxy)ethanamine is CCNCCOC1CCCCO1.
What is the InChIKey of N-ethyl-2-(oxan-2-yloxy)ethanamine?
The InChIKey is RYUDKJGJFIGBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-10-6-8-12-9-5-3-4-7-11-9/h9-10H,2-8H2,1H3.
What are the key properties of N-ethyl-2-(oxan-2-yloxy)ethanamine?
N-ethyl-2-(oxan-2-yloxy)ethanamine has a molecular weight of 173.26 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxan-2-yloxy)ethanamine is sourced from PubChem (CID 14435554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).