2-(bromomethyl)-6-ethyl-6-azaspiro[3.4]octane

C10H18BrN — CID 71635297

IUPAC2-(bromomethyl)-6-ethyl-6-azaspiro[3.4]octane
SMILESCCN1CCC2(CC(CBr)C2)C1
InChIInChI=1S/C10H18BrN/c1-2-12-4-3-10(8-12)5-9(6-10)7-11/h9H,2-8H2,1H3
InChIKeyUEXWKJHYTMWTTA-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.50
Rot. Bonds2

About 2-(bromomethyl)-6-ethyl-6-azaspiro[3.4]octane

2-(bromomethyl)-6-ethyl-6-azaspiro[3.4]octane (PubChem CID 71635297) has the molecular formula C10H18BrN and a molecular weight of 232.16 g/mol. Its IUPAC name is 2-(bromomethyl)-6-ethyl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-(bromomethyl)-6-ethyl-6-azaspiro[3.4]octane
PubChem CID71635297
Molecular FormulaC10H18BrN
Molecular Weight232.16 g/mol
Exact Mass231.06
IUPAC Name2-(bromomethyl)-6-ethyl-6-azaspiro[3.4]octane
SMILESCCN1CCC2(CC(CBr)C2)C1
InChIInChI=1S/C10H18BrN/c1-2-12-4-3-10(8-12)5-9(6-10)7-11/h9H,2-8H2,1H3
InChIKeyUEXWKJHYTMWTTA-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-ethyl-6-azaspiro[3.4]octane?
The IUPAC name of 2-(bromomethyl)-6-ethyl-6-azaspiro[3.4]octane (CID 71635297) is 2-(bromomethyl)-6-ethyl-6-azaspiro[3.4]octane.
What is the SMILES notation for 2-(bromomethyl)-6-ethyl-6-azaspiro[3.4]octane?
The canonical SMILES for 2-(bromomethyl)-6-ethyl-6-azaspiro[3.4]octane is CCN1CCC2(CC(CBr)C2)C1.
What is the InChIKey of 2-(bromomethyl)-6-ethyl-6-azaspiro[3.4]octane?
The InChIKey is UEXWKJHYTMWTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN/c1-2-12-4-3-10(8-12)5-9(6-10)7-11/h9H,2-8H2,1H3.
What are the key properties of 2-(bromomethyl)-6-ethyl-6-azaspiro[3.4]octane?
2-(bromomethyl)-6-ethyl-6-azaspiro[3.4]octane has a molecular weight of 232.16 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-ethyl-6-azaspiro[3.4]octane is sourced from PubChem (CID 71635297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).