7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane

C27H50N4 — CID 159901614

IUPAC7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane
SMILESC1CC2CCC(C1)N2.C1CC2CCC1CN2.C1CC2CCC1N2.C1CC2CNC(C1)C2
InChIInChI=1S/3C7H13N.C6H11N/c1-3-7-4-2-6(1)5-8-7;1-2-6-4-7(3-1)8-5-6;1-2-6-4-5-7(3-1)8-6;1-2-6-4-3-5(1)7-6/h3*6-8H,1-5H2;5-7H,1-4H2
InChIKeyIRLQXDYTFIENKR-UHFFFAOYSA-N
MW430.73 g/mol
LogP4.49
Rot. Bonds

About 7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane

7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane (PubChem CID 159901614) has the molecular formula C27H50N4 and a molecular weight of 430.73 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane
PubChem CID159901614
Molecular FormulaC27H50N4
Molecular Weight430.73 g/mol
Exact Mass430.40
IUPAC Name7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane
SMILESC1CC2CCC(C1)N2.C1CC2CCC1CN2.C1CC2CCC1N2.C1CC2CNC(C1)C2
InChIInChI=1S/3C7H13N.C6H11N/c1-3-7-4-2-6(1)5-8-7;1-2-6-4-7(3-1)8-5-6;1-2-6-4-5-7(3-1)8-6;1-2-6-4-3-5(1)7-6/h3*6-8H,1-5H2;5-7H,1-4H2
InChIKeyIRLQXDYTFIENKR-UHFFFAOYSA-N
XLogP4.49
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.73
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane?
The IUPAC name of 7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane (CID 159901614) is 7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane?
The canonical SMILES for 7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane is C1CC2CCC(C1)N2.C1CC2CCC1CN2.C1CC2CCC1N2.C1CC2CNC(C1)C2.
What is the InChIKey of 7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane?
The InChIKey is IRLQXDYTFIENKR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H13N.C6H11N/c1-3-7-4-2-6(1)5-8-7;1-2-6-4-7(3-1)8-5-6;1-2-6-4-5-7(3-1)8-6;1-2-6-4-3-5(1)7-6/h3*6-8H,1-5H2;5-7H,1-4H2.
What are the key properties of 7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane?
7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane has a molecular weight of 430.73 g/mol, XLogP of 4.49, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 159901614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).