1,2,5,6-tetramethyl-2,5-diazabicyclo[2.2.1]heptane

C9H18N2 — CID 118281396

IUPAC1,2,5,6-tetramethyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC1N(C)C2CN(C)C1(C)C2
InChIInChI=1S/C9H18N2/c1-7-9(2)5-8(11(7)4)6-10(9)3/h7-8H,5-6H2,1-4H3
InChIKeyJIASMNPJGMWJNH-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.78
Rot. Bonds

About 1,2,5,6-tetramethyl-2,5-diazabicyclo[2.2.1]heptane

1,2,5,6-tetramethyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 118281396) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1,2,5,6-tetramethyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,2,5,6-tetramethyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID118281396
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1,2,5,6-tetramethyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC1N(C)C2CN(C)C1(C)C2
InChIInChI=1S/C9H18N2/c1-7-9(2)5-8(11(7)4)6-10(9)3/h7-8H,5-6H2,1-4H3
InChIKeyJIASMNPJGMWJNH-UHFFFAOYSA-N
XLogP0.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,6-tetramethyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 1,2,5,6-tetramethyl-2,5-diazabicyclo[2.2.1]heptane (CID 118281396) is 1,2,5,6-tetramethyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 1,2,5,6-tetramethyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 1,2,5,6-tetramethyl-2,5-diazabicyclo[2.2.1]heptane is CC1N(C)C2CN(C)C1(C)C2.
What is the InChIKey of 1,2,5,6-tetramethyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is JIASMNPJGMWJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-9(2)5-8(11(7)4)6-10(9)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,2,5,6-tetramethyl-2,5-diazabicyclo[2.2.1]heptane?
1,2,5,6-tetramethyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 154.26 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6-tetramethyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 118281396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).