5-azabicyclo[2.1.1]hexane;1,2,3,4-tetrahydropyridine

C10H18N2 — CID 168910052

IUPAC5-azabicyclo[2.1.1]hexane;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.C1CC2CC1N2
InChIInChI=1S/2C5H9N/c1-2-5-3-4(1)6-5;1-2-4-6-5-3-1/h4-6H,1-3H2;2,4,6H,1,3,5H2
InChIKeyNRVOJMIQIYIYBY-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.39
Rot. Bonds

About 5-azabicyclo[2.1.1]hexane;1,2,3,4-tetrahydropyridine

5-azabicyclo[2.1.1]hexane;1,2,3,4-tetrahydropyridine (PubChem CID 168910052) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 5-azabicyclo[2.1.1]hexane;1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name5-azabicyclo[2.1.1]hexane;1,2,3,4-tetrahydropyridine
PubChem CID168910052
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name5-azabicyclo[2.1.1]hexane;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.C1CC2CC1N2
InChIInChI=1S/2C5H9N/c1-2-5-3-4(1)6-5;1-2-4-6-5-3-1/h4-6H,1-3H2;2,4,6H,1,3,5H2
InChIKeyNRVOJMIQIYIYBY-UHFFFAOYSA-N
XLogP1.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 114620534

Frequently Asked Questions

What is the IUPAC name of 5-azabicyclo[2.1.1]hexane;1,2,3,4-tetrahydropyridine?
The IUPAC name of 5-azabicyclo[2.1.1]hexane;1,2,3,4-tetrahydropyridine (CID 168910052) is 5-azabicyclo[2.1.1]hexane;1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 5-azabicyclo[2.1.1]hexane;1,2,3,4-tetrahydropyridine?
The canonical SMILES for 5-azabicyclo[2.1.1]hexane;1,2,3,4-tetrahydropyridine is C1=CNCCC1.C1CC2CC1N2.
What is the InChIKey of 5-azabicyclo[2.1.1]hexane;1,2,3,4-tetrahydropyridine?
The InChIKey is NRVOJMIQIYIYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H9N/c1-2-5-3-4(1)6-5;1-2-4-6-5-3-1/h4-6H,1-3H2;2,4,6H,1,3,5H2.
What are the key properties of 5-azabicyclo[2.1.1]hexane;1,2,3,4-tetrahydropyridine?
5-azabicyclo[2.1.1]hexane;1,2,3,4-tetrahydropyridine has a molecular weight of 166.27 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azabicyclo[2.1.1]hexane;1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 168910052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).