4-azaspiro[2.5]octane

C7H13N — CID 20522183

IUPAC4-azaspiro[2.5]octane
SMILESC1CCC2(CC2)NC1
InChIInChI=1S/C7H13N/c1-2-6-8-7(3-1)4-5-7/h8H,1-6H2
InChIKeyHVFHYYCWZWCTMW-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.29
Rot. Bonds

About 4-azaspiro[2.5]octane

4-azaspiro[2.5]octane (PubChem CID 20522183) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 4-azaspiro[2.5]octane.

Molecular Properties

Compound Name4-azaspiro[2.5]octane
PubChem CID20522183
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name4-azaspiro[2.5]octane
SMILESC1CCC2(CC2)NC1
InChIInChI=1S/C7H13N/c1-2-6-8-7(3-1)4-5-7/h8H,1-6H2
InChIKeyHVFHYYCWZWCTMW-UHFFFAOYSA-N
XLogP1.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-azaspiro[2.5]octane?
The IUPAC name of 4-azaspiro[2.5]octane (CID 20522183) is 4-azaspiro[2.5]octane.
What is the SMILES notation for 4-azaspiro[2.5]octane?
The canonical SMILES for 4-azaspiro[2.5]octane is C1CCC2(CC2)NC1.
What is the InChIKey of 4-azaspiro[2.5]octane?
The InChIKey is HVFHYYCWZWCTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-2-6-8-7(3-1)4-5-7/h8H,1-6H2.
What are the key properties of 4-azaspiro[2.5]octane?
4-azaspiro[2.5]octane has a molecular weight of 111.19 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaspiro[2.5]octane is sourced from PubChem (CID 20522183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).