2,7-ditert-butyl-2,7-diazabicyclo[3.2.0]hept-1(5)-ene

C13H24N2 — CID 170053717

IUPAC2,7-ditert-butyl-2,7-diazabicyclo[3.2.0]hept-1(5)-ene
SMILESCC(C)(C)N1CCC2=C1N(C(C)(C)C)C2
InChIInChI=1S/C13H24N2/c1-12(2,3)14-8-7-10-9-15(11(10)14)13(4,5)6/h7-9H2,1-6H3
InChIKeyLJUJGNYAKQJCEI-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.82
Rot. Bonds

About 2,7-ditert-butyl-2,7-diazabicyclo[3.2.0]hept-1(5)-ene

2,7-ditert-butyl-2,7-diazabicyclo[3.2.0]hept-1(5)-ene (PubChem CID 170053717) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2,7-ditert-butyl-2,7-diazabicyclo[3.2.0]hept-1(5)-ene.

Molecular Properties

Compound Name2,7-ditert-butyl-2,7-diazabicyclo[3.2.0]hept-1(5)-ene
PubChem CID170053717
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2,7-ditert-butyl-2,7-diazabicyclo[3.2.0]hept-1(5)-ene
SMILESCC(C)(C)N1CCC2=C1N(C(C)(C)C)C2
InChIInChI=1S/C13H24N2/c1-12(2,3)14-8-7-10-9-15(11(10)14)13(4,5)6/h7-9H2,1-6H3
InChIKeyLJUJGNYAKQJCEI-UHFFFAOYSA-N
XLogP2.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-2,7-diazabicyclo[3.2.0]hept-1(5)-ene?
The IUPAC name of 2,7-ditert-butyl-2,7-diazabicyclo[3.2.0]hept-1(5)-ene (CID 170053717) is 2,7-ditert-butyl-2,7-diazabicyclo[3.2.0]hept-1(5)-ene.
What is the SMILES notation for 2,7-ditert-butyl-2,7-diazabicyclo[3.2.0]hept-1(5)-ene?
The canonical SMILES for 2,7-ditert-butyl-2,7-diazabicyclo[3.2.0]hept-1(5)-ene is CC(C)(C)N1CCC2=C1N(C(C)(C)C)C2.
What is the InChIKey of 2,7-ditert-butyl-2,7-diazabicyclo[3.2.0]hept-1(5)-ene?
The InChIKey is LJUJGNYAKQJCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-12(2,3)14-8-7-10-9-15(11(10)14)13(4,5)6/h7-9H2,1-6H3.
What are the key properties of 2,7-ditert-butyl-2,7-diazabicyclo[3.2.0]hept-1(5)-ene?
2,7-ditert-butyl-2,7-diazabicyclo[3.2.0]hept-1(5)-ene has a molecular weight of 208.35 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-2,7-diazabicyclo[3.2.0]hept-1(5)-ene is sourced from PubChem (CID 170053717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).