2-(oxetan-3-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane

C12H22N2O — CID 164848038

IUPAC2-(oxetan-3-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane
SMILESCC(C)N1CC2CCC1CN2C1COC1
InChIInChI=1S/C12H22N2O/c1-9(2)13-5-11-4-3-10(13)6-14(11)12-7-15-8-12/h9-12H,3-8H2,1-2H3
InChIKeyLSJMLPHPYJHZRL-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.94
Rot. Bonds2

About 2-(oxetan-3-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane

2-(oxetan-3-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane (PubChem CID 164848038) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(oxetan-3-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-(oxetan-3-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane
PubChem CID164848038
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(oxetan-3-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane
SMILESCC(C)N1CC2CCC1CN2C1COC1
InChIInChI=1S/C12H22N2O/c1-9(2)13-5-11-4-3-10(13)6-14(11)12-7-15-8-12/h9-12H,3-8H2,1-2H3
InChIKeyLSJMLPHPYJHZRL-UHFFFAOYSA-N
XLogP0.94
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane
CID 58110399
2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane
CID 176748091
7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 146275691
3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 178050456
8-propan-2-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 164653518
(2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine
CID 142561847
2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 18731886
6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol
CID 117050678
8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083724
(1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 98255776
11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane
CID 167139033
3-(oxetan-3-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 146488526

Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane?
The IUPAC name of 2-(oxetan-3-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane (CID 164848038) is 2-(oxetan-3-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane.
What is the SMILES notation for 2-(oxetan-3-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane?
The canonical SMILES for 2-(oxetan-3-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane is CC(C)N1CC2CCC1CN2C1COC1.
What is the InChIKey of 2-(oxetan-3-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane?
The InChIKey is LSJMLPHPYJHZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)13-5-11-4-3-10(13)6-14(11)12-7-15-8-12/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-(oxetan-3-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane?
2-(oxetan-3-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane has a molecular weight of 210.32 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 164848038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).