8-iodo-5-azaspiro[3.5]nonane

C8H14IN — CID 170139848

IUPAC8-iodo-5-azaspiro[3.5]nonane
SMILESIC1CCNC2(CCC2)C1
InChIInChI=1S/C8H14IN/c9-7-2-5-10-8(6-7)3-1-4-8/h7,10H,1-6H2
InChIKeyNKZGAMXTNKGGPB-UHFFFAOYSA-N
MW251.11 g/mol
LogP2.10
Rot. Bonds

About 8-iodo-5-azaspiro[3.5]nonane

8-iodo-5-azaspiro[3.5]nonane (PubChem CID 170139848) has the molecular formula C8H14IN and a molecular weight of 251.11 g/mol. Its IUPAC name is 8-iodo-5-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-iodo-5-azaspiro[3.5]nonane
PubChem CID170139848
Molecular FormulaC8H14IN
Molecular Weight251.11 g/mol
Exact Mass251.02
IUPAC Name8-iodo-5-azaspiro[3.5]nonane
SMILESIC1CCNC2(CCC2)C1
InChIInChI=1S/C8H14IN/c9-7-2-5-10-8(6-7)3-1-4-8/h7,10H,1-6H2
InChIKeyNKZGAMXTNKGGPB-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-iodo-5-azaspiro[3.5]nonane?
The IUPAC name of 8-iodo-5-azaspiro[3.5]nonane (CID 170139848) is 8-iodo-5-azaspiro[3.5]nonane.
What is the SMILES notation for 8-iodo-5-azaspiro[3.5]nonane?
The canonical SMILES for 8-iodo-5-azaspiro[3.5]nonane is IC1CCNC2(CCC2)C1.
What is the InChIKey of 8-iodo-5-azaspiro[3.5]nonane?
The InChIKey is NKZGAMXTNKGGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14IN/c9-7-2-5-10-8(6-7)3-1-4-8/h7,10H,1-6H2.
What are the key properties of 8-iodo-5-azaspiro[3.5]nonane?
8-iodo-5-azaspiro[3.5]nonane has a molecular weight of 251.11 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-5-azaspiro[3.5]nonane is sourced from PubChem (CID 170139848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).