6-iodo-6-azaspiro[3.5]nonane

C8H14IN — CID 129299267

IUPAC6-iodo-6-azaspiro[3.5]nonane
SMILESIN1CCCC2(CCC2)C1
InChIInChI=1S/C8H14IN/c9-10-6-2-5-8(7-10)3-1-4-8/h1-7H2
InChIKeyIWLYNAITLGPALF-UHFFFAOYSA-N
MW251.11 g/mol
LogP2.60
Rot. Bonds

About 6-iodo-6-azaspiro[3.5]nonane

6-iodo-6-azaspiro[3.5]nonane (PubChem CID 129299267) has the molecular formula C8H14IN and a molecular weight of 251.11 g/mol. Its IUPAC name is 6-iodo-6-azaspiro[3.5]nonane.

Molecular Properties

Compound Name6-iodo-6-azaspiro[3.5]nonane
PubChem CID129299267
Molecular FormulaC8H14IN
Molecular Weight251.11 g/mol
Exact Mass251.02
IUPAC Name6-iodo-6-azaspiro[3.5]nonane
SMILESIN1CCCC2(CCC2)C1
InChIInChI=1S/C8H14IN/c9-10-6-2-5-8(7-10)3-1-4-8/h1-7H2
InChIKeyIWLYNAITLGPALF-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-iodo-6-azaspiro[3.5]nonane with MolForge

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

Launch Full Analysis

Related Compounds

6-Azaspiro[3.5]nonane
CID 22417100
7-Fluoro-7-azaspiro[3.5]nonane
CID 164539023
2-Fluoro-6-methyl-6-azaspiro[3.5]nonane
CID 177150186
6-(2-Fluoroethyl)-6-azaspiro[3.5]nonane
CID 131131774
7-Methyl-7-azaspiro[3.5]nonane
CID 58117114
6-Propan-2-yl-6-azaspiro[3.5]nonane
CID 67986705
6-Methyl-6-azaspiro[3.5]nonane
CID 67987649
7-Ethyl-7-azaspiro[3.5]nonane
CID 89629692
2,7-Diethyl-7-azaspiro[3.5]nonane
CID 89692203
2-Ethyl-7-methyl-7-azaspiro[3.5]nonane
CID 89692211
6-Tert-butyl-6-azaspiro[3.5]nonane
CID 90207233
7-Chloro-7-azaspiro[3.5]nonane
CID 90208332

Frequently Asked Questions

What is the IUPAC name of 6-iodo-6-azaspiro[3.5]nonane?
The IUPAC name of 6-iodo-6-azaspiro[3.5]nonane (CID 129299267) is 6-iodo-6-azaspiro[3.5]nonane.
What is the SMILES notation for 6-iodo-6-azaspiro[3.5]nonane?
The canonical SMILES for 6-iodo-6-azaspiro[3.5]nonane is IN1CCCC2(CCC2)C1.
What is the InChIKey of 6-iodo-6-azaspiro[3.5]nonane?
The InChIKey is IWLYNAITLGPALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14IN/c9-10-6-2-5-8(7-10)3-1-4-8/h1-7H2.
What are the key properties of 6-iodo-6-azaspiro[3.5]nonane?
6-iodo-6-azaspiro[3.5]nonane has a molecular weight of 251.11 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-6-azaspiro[3.5]nonane is sourced from PubChem (CID 129299267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).