2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane

C8H16N2 — CID 59397830

IUPAC2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane
SMILESCN1CCC2CC1CN2C
InChIInChI=1S/C8H16N2/c1-9-4-3-7-5-8(9)6-10(7)2/h7-8H,3-6H2,1-2H3
InChIKeyWLDMGWJCYKWKAA-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.39
Rot. Bonds

About 2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane

2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane (PubChem CID 59397830) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane
PubChem CID59397830
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane
SMILESCN1CCC2CC1CN2C
InChIInChI=1S/C8H16N2/c1-9-4-3-7-5-8(9)6-10(7)2/h7-8H,3-6H2,1-2H3
InChIKeyWLDMGWJCYKWKAA-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane (CID 59397830) is 2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane is CN1CCC2CC1CN2C.
What is the InChIKey of 2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane?
The InChIKey is WLDMGWJCYKWKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-9-4-3-7-5-8(9)6-10(7)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane?
2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane has a molecular weight of 140.23 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 59397830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).