7-azabicyclo[4.2.2]decane

C9H17N — CID 18518507

IUPAC7-azabicyclo[4.2.2]decane
SMILESC1CCC2CCC(C1)CN2
InChIInChI=1S/C9H17N/c1-2-4-9-6-5-8(3-1)7-10-9/h8-10H,1-7H2
InChIKeyCSIRTXBXVJYRGM-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.93
Rot. Bonds

About 7-azabicyclo[4.2.2]decane

7-azabicyclo[4.2.2]decane (PubChem CID 18518507) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 7-azabicyclo[4.2.2]decane.

Molecular Properties

Compound Name7-azabicyclo[4.2.2]decane
PubChem CID18518507
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name7-azabicyclo[4.2.2]decane
SMILESC1CCC2CCC(C1)CN2
InChIInChI=1S/C9H17N/c1-2-4-9-6-5-8(3-1)7-10-9/h8-10H,1-7H2
InChIKeyCSIRTXBXVJYRGM-UHFFFAOYSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[4.2.2]decane?
The IUPAC name of 7-azabicyclo[4.2.2]decane (CID 18518507) is 7-azabicyclo[4.2.2]decane.
What is the SMILES notation for 7-azabicyclo[4.2.2]decane?
The canonical SMILES for 7-azabicyclo[4.2.2]decane is C1CCC2CCC(C1)CN2.
What is the InChIKey of 7-azabicyclo[4.2.2]decane?
The InChIKey is CSIRTXBXVJYRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-4-9-6-5-8(3-1)7-10-9/h8-10H,1-7H2.
What are the key properties of 7-azabicyclo[4.2.2]decane?
7-azabicyclo[4.2.2]decane has a molecular weight of 139.24 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[4.2.2]decane is sourced from PubChem (CID 18518507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).