5,9-diazatricyclo[6.2.1.04,9]undecane

C9H16N2 — CID 123749809

IUPAC5,9-diazatricyclo[6.2.1.04,9]undecane
SMILESC1CC2CC3CCC(N1)N2C3
InChIInChI=1S/C9H16N2/c1-2-9-10-4-3-8-5-7(1)6-11(8)9/h7-10H,1-6H2
InChIKeyFIFWGOYQXGDGIK-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.79
Rot. Bonds

About 5,9-diazatricyclo[6.2.1.04,9]undecane

5,9-diazatricyclo[6.2.1.04,9]undecane (PubChem CID 123749809) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5,9-diazatricyclo[6.2.1.04,9]undecane.

Molecular Properties

Compound Name5,9-diazatricyclo[6.2.1.04,9]undecane
PubChem CID123749809
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5,9-diazatricyclo[6.2.1.04,9]undecane
SMILESC1CC2CC3CCC(N1)N2C3
InChIInChI=1S/C9H16N2/c1-2-9-10-4-3-8-5-7(1)6-11(8)9/h7-10H,1-6H2
InChIKeyFIFWGOYQXGDGIK-UHFFFAOYSA-N
XLogP0.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,9-diazatricyclo[6.2.1.04,9]undecane?
The IUPAC name of 5,9-diazatricyclo[6.2.1.04,9]undecane (CID 123749809) is 5,9-diazatricyclo[6.2.1.04,9]undecane.
What is the SMILES notation for 5,9-diazatricyclo[6.2.1.04,9]undecane?
The canonical SMILES for 5,9-diazatricyclo[6.2.1.04,9]undecane is C1CC2CC3CCC(N1)N2C3.
What is the InChIKey of 5,9-diazatricyclo[6.2.1.04,9]undecane?
The InChIKey is FIFWGOYQXGDGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-9-10-4-3-8-5-7(1)6-11(8)9/h7-10H,1-6H2.
What are the key properties of 5,9-diazatricyclo[6.2.1.04,9]undecane?
5,9-diazatricyclo[6.2.1.04,9]undecane has a molecular weight of 152.24 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diazatricyclo[6.2.1.04,9]undecane is sourced from PubChem (CID 123749809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).