2-azaspiro[3.3]heptane

C6H11N — CID 20521856

IUPAC2-azaspiro[3.3]heptane
SMILESC1CC2(C1)CNC2
InChIInChI=1S/C6H11N/c1-2-6(3-1)4-7-5-6/h7H,1-5H2
InChIKeyQPEJAHMNOVMSOZ-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.76
Rot. Bonds

About 2-azaspiro[3.3]heptane

2-azaspiro[3.3]heptane (PubChem CID 20521856) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-azaspiro[3.3]heptane
PubChem CID20521856
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name2-azaspiro[3.3]heptane
SMILESC1CC2(C1)CNC2
InChIInChI=1S/C6H11N/c1-2-6(3-1)4-7-5-6/h7H,1-5H2
InChIKeyQPEJAHMNOVMSOZ-UHFFFAOYSA-N
XLogP0.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-azaspiro[3.3]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.3]heptane?
The IUPAC name of 2-azaspiro[3.3]heptane (CID 20521856) is 2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-azaspiro[3.3]heptane?
The canonical SMILES for 2-azaspiro[3.3]heptane is C1CC2(C1)CNC2.
What is the InChIKey of 2-azaspiro[3.3]heptane?
The InChIKey is QPEJAHMNOVMSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-2-6(3-1)4-7-5-6/h7H,1-5H2.
What are the key properties of 2-azaspiro[3.3]heptane?
2-azaspiro[3.3]heptane has a molecular weight of 97.16 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.3]heptane is sourced from PubChem (CID 20521856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).