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

C10H19NO2 — CID 10702676

IUPAC1,4-dimethyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
SMILESCCCN1CC2(C)COC1(C)OC2
InChIInChI=1S/C10H19NO2/c1-4-5-11-6-9(2)7-12-10(11,3)13-8-9/h4-8H2,1-3H3
InChIKeyUCWPDBCKYROPDP-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.44
Rot. Bonds2

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

1,4-dimethyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane (PubChem CID 10702676) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,4-dimethyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name1,4-dimethyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
PubChem CID10702676
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1,4-dimethyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
SMILESCCCN1CC2(C)COC1(C)OC2
InChIInChI=1S/C10H19NO2/c1-4-5-11-6-9(2)7-12-10(11,3)13-8-9/h4-8H2,1-3H3
InChIKeyUCWPDBCKYROPDP-UHFFFAOYSA-N
XLogP1.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The IUPAC name of 1,4-dimethyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane (CID 10702676) is 1,4-dimethyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane.
What is the SMILES notation for 1,4-dimethyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The canonical SMILES for 1,4-dimethyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane is CCCN1CC2(C)COC1(C)OC2.
What is the InChIKey of 1,4-dimethyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The InChIKey is UCWPDBCKYROPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-5-11-6-9(2)7-12-10(11,3)13-8-9/h4-8H2,1-3H3.
What are the key properties of 1,4-dimethyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
1,4-dimethyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane has a molecular weight of 185.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-7-propyl-2,6-dioxa-7-azabicyclo[2.2.2]octane is sourced from PubChem (CID 10702676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).