3-(2-ethoxyethyl)-3-ethylazetidine

C9H19NO — CID 79451036

IUPAC3-(2-ethoxyethyl)-3-ethylazetidine
SMILESCCOCCC1(CC)CNC1
InChIInChI=1S/C9H19NO/c1-3-9(7-10-8-9)5-6-11-4-2/h10H,3-8H2,1-2H3
InChIKeyLSMNFQSQKPMHML-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds5

About 3-(2-ethoxyethyl)-3-ethylazetidine

3-(2-ethoxyethyl)-3-ethylazetidine (PubChem CID 79451036) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-3-ethylazetidine.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-3-ethylazetidine
PubChem CID79451036
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-(2-ethoxyethyl)-3-ethylazetidine
SMILESCCOCCC1(CC)CNC1
InChIInChI=1S/C9H19NO/c1-3-9(7-10-8-9)5-6-11-4-2/h10H,3-8H2,1-2H3
InChIKeyLSMNFQSQKPMHML-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-decyl-3-ethylazetidine
CID 79451957
3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine
CID 79452061
3,3-diethylazetidine;hydrochloride
CID 119032125
3-(2-butoxyethyl)-3-propylazetidine
CID 79452561
2-ethoxy-N-(2-ethoxyethyl)-N-[(3-ethylpyrrolidin-3-yl)methyl]ethanamine
CID 82953975
3-[2-(3-methoxypropoxy)ethyl]-3-propylazetidine
CID 103185145
3,6-diethyl-3-hexyl-6-pentylazepane
CID 59903813
[1-(2-ethoxyethyl)cyclopentyl]methanol
CID 66023683
[1-(2-ethoxyethyl)cyclopentyl]methanamine
CID 62724287
3-ethyl-3-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethyl]oxetane
CID 171781169
3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane
CID 59609295
3-(bromomethyl)-3-(2-ethoxyethyl)oxane
CID 66042265

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-3-ethylazetidine?
The IUPAC name of 3-(2-ethoxyethyl)-3-ethylazetidine (CID 79451036) is 3-(2-ethoxyethyl)-3-ethylazetidine.
What is the SMILES notation for 3-(2-ethoxyethyl)-3-ethylazetidine?
The canonical SMILES for 3-(2-ethoxyethyl)-3-ethylazetidine is CCOCCC1(CC)CNC1.
What is the InChIKey of 3-(2-ethoxyethyl)-3-ethylazetidine?
The InChIKey is LSMNFQSQKPMHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-9(7-10-8-9)5-6-11-4-2/h10H,3-8H2,1-2H3.
What are the key properties of 3-(2-ethoxyethyl)-3-ethylazetidine?
3-(2-ethoxyethyl)-3-ethylazetidine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-3-ethylazetidine is sourced from PubChem (CID 79451036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).