6-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane

C20H37N3 — CID 67017433

IUPAC6-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane
SMILESC1CC2CC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC1CN2
InChIInChI=1S/2C7H13N.C6H11N/c1-3-7-4-2-6(1)5-8-7;1-2-6-4-5-7(3-1)8-6;1-2-5-4-6(3-1)7-5/h2*6-8H,1-5H2;5-7H,1-4H2
InChIKeyQLZHLLCIYOHQTI-UHFFFAOYSA-N
MW319.54 g/mol
LogP3.34
Rot. Bonds

About 6-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane

6-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane (PubChem CID 67017433) has the molecular formula C20H37N3 and a molecular weight of 319.54 g/mol. Its IUPAC name is 6-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane
PubChem CID67017433
Molecular FormulaC20H37N3
Molecular Weight319.54 g/mol
Exact Mass319.30
IUPAC Name6-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane
SMILESC1CC2CC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC1CN2
InChIInChI=1S/2C7H13N.C6H11N/c1-3-7-4-2-6(1)5-8-7;1-2-6-4-5-7(3-1)8-6;1-2-5-4-6(3-1)7-5/h2*6-8H,1-5H2;5-7H,1-4H2
InChIKeyQLZHLLCIYOHQTI-UHFFFAOYSA-N
XLogP3.34
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.54
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane?
The IUPAC name of 6-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane (CID 67017433) is 6-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane?
The canonical SMILES for 6-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane is C1CC2CC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC1CN2.
What is the InChIKey of 6-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane?
The InChIKey is QLZHLLCIYOHQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13N.C6H11N/c1-3-7-4-2-6(1)5-8-7;1-2-6-4-5-7(3-1)8-6;1-2-5-4-6(3-1)7-5/h2*6-8H,1-5H2;5-7H,1-4H2.
What are the key properties of 6-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane?
6-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane has a molecular weight of 319.54 g/mol, XLogP of 3.34, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 67017433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).