9-iodo-9-azabicyclo[3.3.1]nonane

C8H14IN — CID 134995806

IUPAC9-iodo-9-azabicyclo[3.3.1]nonane
SMILESIN1C2CCCC1CCC2
InChIInChI=1S/C8H14IN/c9-10-7-3-1-4-8(10)6-2-5-7/h7-8H,1-6H2
InChIKeyWEMXBKKRAGVWFB-UHFFFAOYSA-N
MW251.11 g/mol
LogP2.74
Rot. Bonds

About 9-iodo-9-azabicyclo[3.3.1]nonane

9-iodo-9-azabicyclo[3.3.1]nonane (PubChem CID 134995806) has the molecular formula C8H14IN and a molecular weight of 251.11 g/mol. Its IUPAC name is 9-iodo-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-iodo-9-azabicyclo[3.3.1]nonane
PubChem CID134995806
Molecular FormulaC8H14IN
Molecular Weight251.11 g/mol
Exact Mass251.02
IUPAC Name9-iodo-9-azabicyclo[3.3.1]nonane
SMILESIN1C2CCCC1CCC2
InChIInChI=1S/C8H14IN/c9-10-7-3-1-4-8(10)6-2-5-7/h7-8H,1-6H2
InChIKeyWEMXBKKRAGVWFB-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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'}

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Related Compounds

9-Azabicyclo(3.3.1)nonane n-oxyl
CID 58489917
9-Azabicyclo(3.3.1)nonane, 9-methyl-
CID 136318
9-Azabicyclo(3.3.1)nonane
CID 286595
9-Azabicyclo(3.3.1)nonane, 9-(1,1-dimethylethyl)-
CID 144082
9-Azabicyclo(3.3.1)nonane, 9-chloro-
CID 144593
9-Fluoro-9-azabicyclo[3.3.1]nonane
CID 134995913
9-Azabicyclo[3.3.1]nonanen-oxyl
CID 44195428
9-Azabicyclo(3.3.1)nonane, 9-ethyl-
CID 144080
9-Azabicyclo(3.3.1)nonane, 9-(1-methylethyl)-
CID 144081
9-Azabicyclo(3.3.1)nonane, 9-propyl-
CID 144587
9-Bromo-9-azabicyclo[3.3.1]nonane
CID 134994091
9-Azabicyclo(3.3.1)nonan-9-amine, N,N-dimethyl-
CID 143732

Frequently Asked Questions

What is the IUPAC name of 9-iodo-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 9-iodo-9-azabicyclo[3.3.1]nonane (CID 134995806) is 9-iodo-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-iodo-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 9-iodo-9-azabicyclo[3.3.1]nonane is IN1C2CCCC1CCC2.
What is the InChIKey of 9-iodo-9-azabicyclo[3.3.1]nonane?
The InChIKey is WEMXBKKRAGVWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14IN/c9-10-7-3-1-4-8(10)6-2-5-7/h7-8H,1-6H2.
What are the key properties of 9-iodo-9-azabicyclo[3.3.1]nonane?
9-iodo-9-azabicyclo[3.3.1]nonane has a molecular weight of 251.11 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodo-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 134995806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).