2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2-oxa-5-azabicyclo[2.2.1]heptane

C24H44N4O — CID 158991997

IUPAC2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC1CC2CC1CN2.C1CC2CCC1CN2.C1CC2CCC1N2.C1OC2CNC1C2
InChIInChI=1S/C7H13N.2C6H11N.C5H9NO/c1-3-7-4-2-6(1)5-8-7;1-2-6-3-5(1)4-7-6;1-2-6-4-3-5(1)7-6;1-4-3-7-5(1)2-6-4/h6-8H,1-5H2;2*5-7H,1-4H2;4-6H,1-3H2
InChIKeyJQGUDCFKWGPBDE-UHFFFAOYSA-N
MW404.64 g/mol
LogP2.55
Rot. Bonds

About 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2-oxa-5-azabicyclo[2.2.1]heptane

2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 158991997) has the molecular formula C24H44N4O and a molecular weight of 404.64 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID158991997
Molecular FormulaC24H44N4O
Molecular Weight404.64 g/mol
Exact Mass404.35
IUPAC Name2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC1CC2CC1CN2.C1CC2CCC1CN2.C1CC2CCC1N2.C1OC2CNC1C2
InChIInChI=1S/C7H13N.2C6H11N.C5H9NO/c1-3-7-4-2-6(1)5-8-7;1-2-6-3-5(1)4-7-6;1-2-6-4-3-5(1)7-6;1-4-3-7-5(1)2-6-4/h6-8H,1-5H2;2*5-7H,1-4H2;4-6H,1-3H2
InChIKeyJQGUDCFKWGPBDE-UHFFFAOYSA-N
XLogP2.55
TPSA57.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.64
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2-oxa-5-azabicyclo[2.2.1]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2-oxa-5-azabicyclo[2.2.1]heptane (CID 158991997) is 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2-oxa-5-azabicyclo[2.2.1]heptane is C1CC2CC1CN2.C1CC2CCC1CN2.C1CC2CCC1N2.C1OC2CNC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is JQGUDCFKWGPBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.2C6H11N.C5H9NO/c1-3-7-4-2-6(1)5-8-7;1-2-6-3-5(1)4-7-6;1-2-6-4-3-5(1)7-6;1-4-3-7-5(1)2-6-4/h6-8H,1-5H2;2*5-7H,1-4H2;4-6H,1-3H2.
What are the key properties of 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2-oxa-5-azabicyclo[2.2.1]heptane?
2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 404.64 g/mol, XLogP of 2.55, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 158991997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).