2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-5-(3,6-diazabicyclo[3.1.0]hexan-6-yl)-2,5-diazabicyclo[2.2.2]octane

C15H26N6 — CID 174178218

IUPAC2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-5-(3,6-diazabicyclo[3.1.0]hexan-6-yl)-2,5-diazabicyclo[2.2.2]octane
SMILESC1CC2CN(N3CC4CC3CN4)C1CN2N1C2CNCC21
InChIInChI=1S/C15H26N6/c1-2-12-8-19(18-7-10-3-13(18)4-17-10)11(1)9-20(12)21-14-5-16-6-15(14)21/h10-17H,1-9H2
InChIKeyXKAJXUCSFOKYOR-UHFFFAOYSA-N
MW290.42 g/mol
LogP-1.33
Rot. Bonds2

About 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-5-(3,6-diazabicyclo[3.1.0]hexan-6-yl)-2,5-diazabicyclo[2.2.2]octane

2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-5-(3,6-diazabicyclo[3.1.0]hexan-6-yl)-2,5-diazabicyclo[2.2.2]octane (PubChem CID 174178218) has the molecular formula C15H26N6 and a molecular weight of 290.42 g/mol. Its IUPAC name is 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-5-(3,6-diazabicyclo[3.1.0]hexan-6-yl)-2,5-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-5-(3,6-diazabicyclo[3.1.0]hexan-6-yl)-2,5-diazabicyclo[2.2.2]octane
PubChem CID174178218
Molecular FormulaC15H26N6
Molecular Weight290.42 g/mol
Exact Mass290.22
IUPAC Name2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-5-(3,6-diazabicyclo[3.1.0]hexan-6-yl)-2,5-diazabicyclo[2.2.2]octane
SMILESC1CC2CN(N3CC4CC3CN4)C1CN2N1C2CNCC21
InChIInChI=1S/C15H26N6/c1-2-12-8-19(18-7-10-3-13(18)4-17-10)11(1)9-20(12)21-14-5-16-6-15(14)21/h10-17H,1-9H2
InChIKeyXKAJXUCSFOKYOR-UHFFFAOYSA-N
XLogP-1.33
TPSA36.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-5-(3,6-diazabicyclo[3.1.0]hexan-6-yl)-2,5-diazabicyclo[2.2.2]octane?
The IUPAC name of 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-5-(3,6-diazabicyclo[3.1.0]hexan-6-yl)-2,5-diazabicyclo[2.2.2]octane (CID 174178218) is 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-5-(3,6-diazabicyclo[3.1.0]hexan-6-yl)-2,5-diazabicyclo[2.2.2]octane.
What is the SMILES notation for 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-5-(3,6-diazabicyclo[3.1.0]hexan-6-yl)-2,5-diazabicyclo[2.2.2]octane?
The canonical SMILES for 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-5-(3,6-diazabicyclo[3.1.0]hexan-6-yl)-2,5-diazabicyclo[2.2.2]octane is C1CC2CN(N3CC4CC3CN4)C1CN2N1C2CNCC21.
What is the InChIKey of 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-5-(3,6-diazabicyclo[3.1.0]hexan-6-yl)-2,5-diazabicyclo[2.2.2]octane?
The InChIKey is XKAJXUCSFOKYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-2-12-8-19(18-7-10-3-13(18)4-17-10)11(1)9-20(12)21-14-5-16-6-15(14)21/h10-17H,1-9H2.
What are the key properties of 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-5-(3,6-diazabicyclo[3.1.0]hexan-6-yl)-2,5-diazabicyclo[2.2.2]octane?
2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-5-(3,6-diazabicyclo[3.1.0]hexan-6-yl)-2,5-diazabicyclo[2.2.2]octane has a molecular weight of 290.42 g/mol, XLogP of -1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-5-(3,6-diazabicyclo[3.1.0]hexan-6-yl)-2,5-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 174178218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).