11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane

C13H25NO — CID 167139033

IUPAC11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane
SMILESCC(C)N1CC2CCCCC(COC2)C1
InChIInChI=1S/C13H25NO/c1-11(2)14-7-12-5-3-4-6-13(8-14)10-15-9-12/h11-13H,3-10H2,1-2H3
InChIKeyLKCWRDRCWPOILT-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.53
Rot. Bonds1

About 11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane

11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane (PubChem CID 167139033) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane.

Molecular Properties

Compound Name11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane
PubChem CID167139033
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane
SMILESCC(C)N1CC2CCCCC(COC2)C1
InChIInChI=1S/C13H25NO/c1-11(2)14-7-12-5-3-4-6-13(8-14)10-15-9-12/h11-13H,3-10H2,1-2H3
InChIKeyLKCWRDRCWPOILT-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-methyl-8-propan-2-yl-8,10-diazabicyclo[4.3.2]undecane
CID 176748103
ethane;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 159480431
7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 146275691
3-propan-2-yl-3-azabicyclo[4.3.1]decane
CID 121313326
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
(2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine
CID 142561847
(6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane
CID 176594342
(1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one
CID 25324115
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one
CID 43810970
(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one
CID 98053855
10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane
CID 160947878

Frequently Asked Questions

What is the IUPAC name of 11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane?
The IUPAC name of 11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane (CID 167139033) is 11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane.
What is the SMILES notation for 11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane?
The canonical SMILES for 11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane is CC(C)N1CC2CCCCC(COC2)C1.
What is the InChIKey of 11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane?
The InChIKey is LKCWRDRCWPOILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)14-7-12-5-3-4-6-13(8-14)10-15-9-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane?
11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane has a molecular weight of 211.35 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane is sourced from PubChem (CID 167139033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).