4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane

C13H28N2O2 — CID 142597171

IUPAC4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane
SMILESCCOCCCN1CCCCNCCOCC1
InChIInChI=1S/C13H28N2O2/c1-2-16-11-5-9-15-8-4-3-6-14-7-12-17-13-10-15/h14H,2-13H2,1H3
InChIKeyZLLKPJISZAPWOB-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.12
Rot. Bonds5

About 4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane

4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane (PubChem CID 142597171) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane.

Molecular Properties

Compound Name4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane
PubChem CID142597171
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane
SMILESCCOCCCN1CCCCNCCOCC1
InChIInChI=1S/C13H28N2O2/c1-2-16-11-5-9-15-8-4-3-6-14-7-12-17-13-10-15/h14H,2-13H2,1H3
InChIKeyZLLKPJISZAPWOB-UHFFFAOYSA-N
XLogP1.12
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-propyl-1-oxa-4,9-diazacycloundecane
CID 142313411
4-(4-ethoxybutyl)morpholine
CID 10726253
4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane
CID 174304183
4-(2-ethoxyethyl)morpholine;hydrobromide
CID 173067075
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane
CID 156885032
1-(3-propoxypropyl)-1,5-diazocane
CID 82947499
1-(2-ethoxyethyl)piperidine
CID 22622871
1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine
CID 95464281
1-pentylpiperidine;pyrrolidine
CID 69027489
4-(2-hexoxyethyl)morpholine
CID 3326674
7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 134951653

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane?
The IUPAC name of 4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane (CID 142597171) is 4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane.
What is the SMILES notation for 4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane?
The canonical SMILES for 4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane is CCOCCCN1CCCCNCCOCC1.
What is the InChIKey of 4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane?
The InChIKey is ZLLKPJISZAPWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-2-16-11-5-9-15-8-4-3-6-14-7-12-17-13-10-15/h14H,2-13H2,1H3.
What are the key properties of 4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane?
4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane has a molecular weight of 244.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane is sourced from PubChem (CID 142597171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).