4-propyl-1-oxa-4,9-diazacycloundecane

C11H24N2O — CID 142313411

IUPAC4-propyl-1-oxa-4,9-diazacycloundecane
SMILESCCCN1CCCCNCCOCC1
InChIInChI=1S/C11H24N2O/c1-2-7-13-8-4-3-5-12-6-10-14-11-9-13/h12H,2-11H2,1H3
InChIKeyOWNGCVNIFLOQLA-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds2

About 4-propyl-1-oxa-4,9-diazacycloundecane

4-propyl-1-oxa-4,9-diazacycloundecane (PubChem CID 142313411) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-propyl-1-oxa-4,9-diazacycloundecane.

Molecular Properties

Compound Name4-propyl-1-oxa-4,9-diazacycloundecane
PubChem CID142313411
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-propyl-1-oxa-4,9-diazacycloundecane
SMILESCCCN1CCCCNCCOCC1
InChIInChI=1S/C11H24N2O/c1-2-7-13-8-4-3-5-12-6-10-14-11-9-13/h12H,2-11H2,1H3
InChIKeyOWNGCVNIFLOQLA-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidine;1-propylpiperidine
CID 67843364
4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane
CID 142597171
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
4-propylmorpholine;hydrobromide
CID 70540609
ethane;4-propylmorpholine
CID 143004992
methanamine;4-propyl-1,4-oxazepane
CID 169188972
7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 134951653
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030
morpholine;piperidine;propane
CID 144636316
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
1-pentylpiperidine;pyrrolidine
CID 69027489
2-morpholin-4-ylethanol;2-piperazin-1-ylethanol;2-piperidin-1-ylethanol;2-pyrrolidin-1-ylethanol
CID 157451778

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-oxa-4,9-diazacycloundecane?
The IUPAC name of 4-propyl-1-oxa-4,9-diazacycloundecane (CID 142313411) is 4-propyl-1-oxa-4,9-diazacycloundecane.
What is the SMILES notation for 4-propyl-1-oxa-4,9-diazacycloundecane?
The canonical SMILES for 4-propyl-1-oxa-4,9-diazacycloundecane is CCCN1CCCCNCCOCC1.
What is the InChIKey of 4-propyl-1-oxa-4,9-diazacycloundecane?
The InChIKey is OWNGCVNIFLOQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-2-7-13-8-4-3-5-12-6-10-14-11-9-13/h12H,2-11H2,1H3.
What are the key properties of 4-propyl-1-oxa-4,9-diazacycloundecane?
4-propyl-1-oxa-4,9-diazacycloundecane has a molecular weight of 200.33 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-oxa-4,9-diazacycloundecane is sourced from PubChem (CID 142313411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).