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

C14H19NO2 — CID 11053540

IUPAC7-benzyl-1,4-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
SMILESCC12COC(C)(OC1)N(Cc1ccccc1)C2
InChIInChI=1S/C14H19NO2/c1-13-9-15(8-12-6-4-3-5-7-12)14(2,16-10-13)17-11-13/h3-7H,8-11H2,1-2H3
InChIKeyIYXLQMDQVFVWHD-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.23
Rot. Bonds2

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

7-benzyl-1,4-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane (PubChem CID 11053540) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 7-benzyl-1,4-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name7-benzyl-1,4-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
PubChem CID11053540
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name7-benzyl-1,4-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
SMILESCC12COC(C)(OC1)N(Cc1ccccc1)C2
InChIInChI=1S/C14H19NO2/c1-13-9-15(8-12-6-4-3-5-7-12)14(2,16-10-13)17-11-13/h3-7H,8-11H2,1-2H3
InChIKeyIYXLQMDQVFVWHD-UHFFFAOYSA-N
XLogP2.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-1-oxa-6-azaspiro[2.3]hexane
CID 56995453
(2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine
CID 101229912
2-benzyl-1-methyl-2-azabicyclo[2.1.1]hexane
CID 11389846
(2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine
CID 101369761
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
methyl 1-benzyl-2-methylaziridine-2-carboxylate
CID 15098328
(1-benzyl-2-methylazetidin-2-yl)methanol
CID 53343747
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
1-benzyl-3-tert-butyl-2,2-dimethylazetidine
CID 563397
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
9-benzyl-9-azadispiro[2.2.26.23]decane
CID 163932559
1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane
CID 70380943

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1,4-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The IUPAC name of 7-benzyl-1,4-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane (CID 11053540) is 7-benzyl-1,4-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane.
What is the SMILES notation for 7-benzyl-1,4-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The canonical SMILES for 7-benzyl-1,4-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane is CC12COC(C)(OC1)N(Cc1ccccc1)C2.
What is the InChIKey of 7-benzyl-1,4-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The InChIKey is IYXLQMDQVFVWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-13-9-15(8-12-6-4-3-5-7-12)14(2,16-10-13)17-11-13/h3-7H,8-11H2,1-2H3.
What are the key properties of 7-benzyl-1,4-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
7-benzyl-1,4-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane has a molecular weight of 233.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1,4-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane is sourced from PubChem (CID 11053540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).