2-(7-iodo-2,7-diazaspiro[3.5]nonan-2-yl)ethanol

C9H17IN2O — CID 146622273

IUPAC2-(7-iodo-2,7-diazaspiro[3.5]nonan-2-yl)ethanol
SMILESOCCN1CC2(CCN(I)CC2)C1
InChIInChI=1S/C9H17IN2O/c10-12-3-1-9(2-4-12)7-11(8-9)5-6-13/h13H,1-8H2
InChIKeyUJOLREBHVXATLT-UHFFFAOYSA-N
MW296.15 g/mol
LogP0.73
Rot. Bonds2

About 2-(7-iodo-2,7-diazaspiro[3.5]nonan-2-yl)ethanol

2-(7-iodo-2,7-diazaspiro[3.5]nonan-2-yl)ethanol (PubChem CID 146622273) has the molecular formula C9H17IN2O and a molecular weight of 296.15 g/mol. Its IUPAC name is 2-(7-iodo-2,7-diazaspiro[3.5]nonan-2-yl)ethanol.

Molecular Properties

Compound Name2-(7-iodo-2,7-diazaspiro[3.5]nonan-2-yl)ethanol
PubChem CID146622273
Molecular FormulaC9H17IN2O
Molecular Weight296.15 g/mol
Exact Mass296.04
IUPAC Name2-(7-iodo-2,7-diazaspiro[3.5]nonan-2-yl)ethanol
SMILESOCCN1CC2(CCN(I)CC2)C1
InChIInChI=1S/C9H17IN2O/c10-12-3-1-9(2-4-12)7-11(8-9)5-6-13/h13H,1-8H2
InChIKeyUJOLREBHVXATLT-UHFFFAOYSA-N
XLogP0.73
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-iodo-2,7-diazaspiro[3.5]nonan-2-yl)ethanol?
The IUPAC name of 2-(7-iodo-2,7-diazaspiro[3.5]nonan-2-yl)ethanol (CID 146622273) is 2-(7-iodo-2,7-diazaspiro[3.5]nonan-2-yl)ethanol.
What is the SMILES notation for 2-(7-iodo-2,7-diazaspiro[3.5]nonan-2-yl)ethanol?
The canonical SMILES for 2-(7-iodo-2,7-diazaspiro[3.5]nonan-2-yl)ethanol is OCCN1CC2(CCN(I)CC2)C1.
What is the InChIKey of 2-(7-iodo-2,7-diazaspiro[3.5]nonan-2-yl)ethanol?
The InChIKey is UJOLREBHVXATLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17IN2O/c10-12-3-1-9(2-4-12)7-11(8-9)5-6-13/h13H,1-8H2.
What are the key properties of 2-(7-iodo-2,7-diazaspiro[3.5]nonan-2-yl)ethanol?
2-(7-iodo-2,7-diazaspiro[3.5]nonan-2-yl)ethanol has a molecular weight of 296.15 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-iodo-2,7-diazaspiro[3.5]nonan-2-yl)ethanol is sourced from PubChem (CID 146622273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).