3-(2,5-diazabicyclo[2.2.1]heptan-3-yl)-2-azabicyclo[2.2.2]octane

C12H21N3 — CID 166935045

IUPAC3-(2,5-diazabicyclo[2.2.1]heptan-3-yl)-2-azabicyclo[2.2.2]octane
SMILESC1CC2CCC1NC2C1NC2CNC1C2
InChIInChI=1S/C12H21N3/c1-3-8-4-2-7(1)11(14-8)12-10-5-9(15-12)6-13-10/h7-15H,1-6H2
InChIKeyODJOQFSORFUTLY-UHFFFAOYSA-N
MW207.32 g/mol
LogP0.22
Rot. Bonds1

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

3-(2,5-diazabicyclo[2.2.1]heptan-3-yl)-2-azabicyclo[2.2.2]octane (PubChem CID 166935045) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(2,5-diazabicyclo[2.2.1]heptan-3-yl)-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(2,5-diazabicyclo[2.2.1]heptan-3-yl)-2-azabicyclo[2.2.2]octane
PubChem CID166935045
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(2,5-diazabicyclo[2.2.1]heptan-3-yl)-2-azabicyclo[2.2.2]octane
SMILESC1CC2CCC1NC2C1NC2CNC1C2
InChIInChI=1S/C12H21N3/c1-3-8-4-2-7(1)11(14-8)12-10-5-9(15-12)6-13-10/h7-15H,1-6H2
InChIKeyODJOQFSORFUTLY-UHFFFAOYSA-N
XLogP0.22
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(2,5-diazabicyclo[2.2.1]heptan-3-yl)-2-azabicyclo[2.2.2]octane with MolForge

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Related Compounds

(2S,4R)-2,4-dicyclopropylpyrrolidine
CID 92569047
(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-3-carboxamide;hydrochloride
CID 141284122
(1S,4S)-2-azabicyclo[2.1.0]pentane
CID 29082085
(1R,4R)-2-azabicyclo[2.1.0]pentane
CID 29082087
3-cyclopropyl-8-azabicyclo[3.2.1]octane
CID 105429641
7-azatricyclo[4.3.0.03,9]nonane
CID 45092436
2-(2-azabicyclo[2.1.1]hexan-5-yl)-5-azabicyclo[2.1.1]hexane
CID 134341238
2-azabicyclo[2.1.0]pentane;hydrochloride
CID 67309553
(5S)-2-azabicyclo[2.2.2]octan-5-amine
CID 146429192
31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane
CID 90736283
2-azatricyclo[6.2.0.03,6]decane
CID 53424320
12-azatricyclo[11.10.2.12,11]hexacosane
CID 139505149

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-diazabicyclo[2.2.1]heptan-3-yl)-2-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(2,5-diazabicyclo[2.2.1]heptan-3-yl)-2-azabicyclo[2.2.2]octane (CID 166935045) is 3-(2,5-diazabicyclo[2.2.1]heptan-3-yl)-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(2,5-diazabicyclo[2.2.1]heptan-3-yl)-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(2,5-diazabicyclo[2.2.1]heptan-3-yl)-2-azabicyclo[2.2.2]octane is C1CC2CCC1NC2C1NC2CNC1C2.
What is the InChIKey of 3-(2,5-diazabicyclo[2.2.1]heptan-3-yl)-2-azabicyclo[2.2.2]octane?
The InChIKey is ODJOQFSORFUTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-8-4-2-7(1)11(14-8)12-10-5-9(15-12)6-13-10/h7-15H,1-6H2.
What are the key properties of 3-(2,5-diazabicyclo[2.2.1]heptan-3-yl)-2-azabicyclo[2.2.2]octane?
3-(2,5-diazabicyclo[2.2.1]heptan-3-yl)-2-azabicyclo[2.2.2]octane has a molecular weight of 207.32 g/mol, XLogP of 0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-diazabicyclo[2.2.1]heptan-3-yl)-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 166935045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).