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

C11H21NO2 — CID 10584153

IUPAC1-ethyl-4-methyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
SMILESCCCN1CC2(C)COC1(CC)OC2
InChIInChI=1S/C11H21NO2/c1-4-6-12-7-10(3)8-13-11(12,5-2)14-9-10/h4-9H2,1-3H3
InChIKeyVOZYHNYMJNPIDY-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds3

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

1-ethyl-4-methyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane (PubChem CID 10584153) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-ethyl-4-methyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-ethyl-4-methyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
PubChem CID10584153
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-ethyl-4-methyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
SMILESCCCN1CC2(C)COC1(CC)OC2
InChIInChI=1S/C11H21NO2/c1-4-6-12-7-10(3)8-13-11(12,5-2)14-9-10/h4-9H2,1-3H3
InChIKeyVOZYHNYMJNPIDY-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

3,3,6,6,8a-Pentamethyltetrahydro-1,8-dioxa-4a-azanaphthalene
CID 24755566
3,5,5-Trimethyl-6-[(3,5,5-trimethyl-1,3-oxazinan-6-yl)oxy]-1,3-oxazinane
CID 321401
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-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-4,7-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
CID 10631011

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The IUPAC name of 1-ethyl-4-methyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane (CID 10584153) is 1-ethyl-4-methyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane.
What is the SMILES notation for 1-ethyl-4-methyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The canonical SMILES for 1-ethyl-4-methyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane is CCCN1CC2(C)COC1(CC)OC2.
What is the InChIKey of 1-ethyl-4-methyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The InChIKey is VOZYHNYMJNPIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-6-12-7-10(3)8-13-11(12,5-2)14-9-10/h4-9H2,1-3H3.
What are the key properties of 1-ethyl-4-methyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
1-ethyl-4-methyl-7-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 1-ethyl-4-methyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane is sourced from PubChem (CID 10584153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).