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

C12H23NO2 — CID 10488786

IUPAC4-methyl-1,7-dipropyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
SMILESCCCN1CC2(C)COC1(CCC)OC2
InChIInChI=1S/C12H23NO2/c1-4-6-12-13(7-5-2)8-11(3,9-14-12)10-15-12/h4-10H2,1-3H3
InChIKeyUDSVHZXDUIKTBC-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds4

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

4-methyl-1,7-dipropyl-2,6-dioxa-7-azabicyclo[2.2.2]octane (PubChem CID 10488786) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-methyl-1,7-dipropyl-2,6-dioxa-7-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name4-methyl-1,7-dipropyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
PubChem CID10488786
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-methyl-1,7-dipropyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
SMILESCCCN1CC2(C)COC1(CCC)OC2
InChIInChI=1S/C12H23NO2/c1-4-6-12-13(7-5-2)8-11(3,9-14-12)10-15-12/h4-10H2,1-3H3
InChIKeyUDSVHZXDUIKTBC-UHFFFAOYSA-N
XLogP2.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1,7-dipropyl-2,6-dioxa-7-azabicyclo[2.2.2]octane with MolForge

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Launch Full Analysis

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
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
7-Ethyl-4-methyl-1-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
CID 10679503

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,7-dipropyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The IUPAC name of 4-methyl-1,7-dipropyl-2,6-dioxa-7-azabicyclo[2.2.2]octane (CID 10488786) is 4-methyl-1,7-dipropyl-2,6-dioxa-7-azabicyclo[2.2.2]octane.
What is the SMILES notation for 4-methyl-1,7-dipropyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The canonical SMILES for 4-methyl-1,7-dipropyl-2,6-dioxa-7-azabicyclo[2.2.2]octane is CCCN1CC2(C)COC1(CCC)OC2.
What is the InChIKey of 4-methyl-1,7-dipropyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The InChIKey is UDSVHZXDUIKTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-6-12-13(7-5-2)8-11(3,9-14-12)10-15-12/h4-10H2,1-3H3.
What are the key properties of 4-methyl-1,7-dipropyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
4-methyl-1,7-dipropyl-2,6-dioxa-7-azabicyclo[2.2.2]octane has a molecular weight of 213.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,7-dipropyl-2,6-dioxa-7-azabicyclo[2.2.2]octane is sourced from PubChem (CID 10488786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).