2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane

C10H20N2O — CID 127000094

IUPAC2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane
SMILESCOCC(C)N1CC2CCC1CN2
InChIInChI=1S/C10H20N2O/c1-8(7-13-2)12-6-9-3-4-10(12)5-11-9/h8-11H,3-7H2,1-2H3
InChIKeyBLFLUVIMBUVBSK-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.46
Rot. Bonds3

About 2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane

2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane (PubChem CID 127000094) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane
PubChem CID127000094
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane
SMILESCOCC(C)N1CC2CCC1CN2
InChIInChI=1S/C10H20N2O/c1-8(7-13-2)12-6-9-3-4-10(12)5-11-9/h8-11H,3-7H2,1-2H3
InChIKeyBLFLUVIMBUVBSK-UHFFFAOYSA-N
XLogP0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane?
The IUPAC name of 2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane (CID 127000094) is 2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane.
What is the SMILES notation for 2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane?
The canonical SMILES for 2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane is COCC(C)N1CC2CCC1CN2.
What is the InChIKey of 2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane?
The InChIKey is BLFLUVIMBUVBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(7-13-2)12-6-9-3-4-10(12)5-11-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane?
2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane has a molecular weight of 184.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 127000094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).