2,2-dimethyl-1,4-diazabicyclo[2.2.2]octane

C8H16N2 — CID 54172238

IUPAC2,2-dimethyl-1,4-diazabicyclo[2.2.2]octane
SMILESCC1(C)CN2CCN1CC2
InChIInChI=1S/C8H16N2/c1-8(2)7-9-3-5-10(8)6-4-9/h3-7H2,1-2H3
InChIKeyOVVBYOVDORKKIU-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.40
Rot. Bonds

About 2,2-dimethyl-1,4-diazabicyclo[2.2.2]octane

2,2-dimethyl-1,4-diazabicyclo[2.2.2]octane (PubChem CID 54172238) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,2-dimethyl-1,4-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2,2-dimethyl-1,4-diazabicyclo[2.2.2]octane
PubChem CID54172238
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2,2-dimethyl-1,4-diazabicyclo[2.2.2]octane
SMILESCC1(C)CN2CCN1CC2
InChIInChI=1S/C8H16N2/c1-8(2)7-9-3-5-10(8)6-4-9/h3-7H2,1-2H3
InChIKeyOVVBYOVDORKKIU-UHFFFAOYSA-N
XLogP0.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,4-diazabicyclo[2.2.2]octane?
The IUPAC name of 2,2-dimethyl-1,4-diazabicyclo[2.2.2]octane (CID 54172238) is 2,2-dimethyl-1,4-diazabicyclo[2.2.2]octane.
What is the SMILES notation for 2,2-dimethyl-1,4-diazabicyclo[2.2.2]octane?
The canonical SMILES for 2,2-dimethyl-1,4-diazabicyclo[2.2.2]octane is CC1(C)CN2CCN1CC2.
What is the InChIKey of 2,2-dimethyl-1,4-diazabicyclo[2.2.2]octane?
The InChIKey is OVVBYOVDORKKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2)7-9-3-5-10(8)6-4-9/h3-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,4-diazabicyclo[2.2.2]octane?
2,2-dimethyl-1,4-diazabicyclo[2.2.2]octane has a molecular weight of 140.23 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,4-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 54172238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).