7-ethyl-4-methyl-1-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane

C11H21NO2 — CID 10679503

IUPAC7-ethyl-4-methyl-1-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
SMILESCCCC12OCC(C)(CO1)CN2CC
InChIInChI=1S/C11H21NO2/c1-4-6-11-12(5-2)7-10(3,8-13-11)9-14-11/h4-9H2,1-3H3
InChIKeyBTJIZMOGYBTISD-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds3

About 7-ethyl-4-methyl-1-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane

7-ethyl-4-methyl-1-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane (PubChem CID 10679503) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 7-ethyl-4-methyl-1-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name7-ethyl-4-methyl-1-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
PubChem CID10679503
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name7-ethyl-4-methyl-1-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
SMILESCCCC12OCC(C)(CO1)CN2CC
InChIInChI=1S/C11H21NO2/c1-4-6-11-12(5-2)7-10(3,8-13-11)9-14-11/h4-9H2,1-3H3
InChIKeyBTJIZMOGYBTISD-UHFFFAOYSA-N
XLogP1.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-ethyl-7-hexyl-2,6-dioxa-7-aza-bicyclo-[2.2.2]octane
CID 58827462
7-Butyl-4-ethyl-1-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
CID 58827463
7-Butyl-4-ethyl-1-hepta-1,3,5-triynyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
CID 58827464
1-Butyl-4-ethyl-7-hexyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
CID 58827465
1-Butyl-4-ethyl-7-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
CID 71211426
1,7-Dibutyl-4-ethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
CID 71212838
4-Ethyl-1,7-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
CID 89374947
7-Butyl-4-ethyl-1-hepta-1,3,5-triynyl-2,6-dioxa-7-azabicyclo[2.2.2]octane;molecular hydrogen
CID 158481254
4-Methyl-1,7-dipropyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
CID 10488786
1,7-Diethyl-4-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
CID 10583682
1-Ethyl-4-methyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
CID 10584153
1-Ethyl-4,7-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
CID 10631011

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-methyl-1-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The IUPAC name of 7-ethyl-4-methyl-1-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane (CID 10679503) is 7-ethyl-4-methyl-1-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane.
What is the SMILES notation for 7-ethyl-4-methyl-1-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The canonical SMILES for 7-ethyl-4-methyl-1-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane is CCCC12OCC(C)(CO1)CN2CC.
What is the InChIKey of 7-ethyl-4-methyl-1-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The InChIKey is BTJIZMOGYBTISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-6-11-12(5-2)7-10(3,8-13-11)9-14-11/h4-9H2,1-3H3.
What are the key properties of 7-ethyl-4-methyl-1-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
7-ethyl-4-methyl-1-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane has a molecular weight of 199.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-methyl-1-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane is sourced from PubChem (CID 10679503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).