9-bromo-3-azaspiro[5.5]undecane

C10H18BrN — CID 177171896

IUPAC9-bromo-3-azaspiro[5.5]undecane
SMILESBrC1CCC2(CCNCC2)CC1
InChIInChI=1S/C10H18BrN/c11-9-1-3-10(4-2-9)5-7-12-8-6-10/h9,12H,1-8H2
InChIKeyOISMQUKNVLRJJK-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.69
Rot. Bonds

About 9-bromo-3-azaspiro[5.5]undecane

9-bromo-3-azaspiro[5.5]undecane (PubChem CID 177171896) has the molecular formula C10H18BrN and a molecular weight of 232.16 g/mol. Its IUPAC name is 9-bromo-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-bromo-3-azaspiro[5.5]undecane
PubChem CID177171896
Molecular FormulaC10H18BrN
Molecular Weight232.16 g/mol
Exact Mass231.06
IUPAC Name9-bromo-3-azaspiro[5.5]undecane
SMILESBrC1CCC2(CCNCC2)CC1
InChIInChI=1S/C10H18BrN/c11-9-1-3-10(4-2-9)5-7-12-8-6-10/h9,12H,1-8H2
InChIKeyOISMQUKNVLRJJK-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Azaspiro(5.5)undecane hydrochloride
CID 417412
2-Azaspiro[5.5]undecane
CID 5006117
9-(Bromomethyl)-9-fluoro-3-azaspiro[5.5]undecane
CID 155893741
9-(Bromomethyl)-3-azaspiro[5.5]undecane
CID 20295361
4-(6-Bromohexyl)piperidine
CID 54048300
4-(4-Bromocyclohexyl)piperidine
CID 140885030
2-Bromo-4-cyclohexyl-5-methylpiperidine
CID 141902253
2-Azaspiro[5.5]undecane;molecular hydrogen
CID 143191023
4-(1-Bromopentyl)piperidine
CID 151579428
9-Deuterio-3-azaspiro[5.5]undecane
CID 175919435
3-Deuterio-3-azaspiro[5.5]undecane
CID 176349722
2-(4-Bromocyclohexyl)piperidine
CID 5257436

Frequently Asked Questions

What is the IUPAC name of 9-bromo-3-azaspiro[5.5]undecane?
The IUPAC name of 9-bromo-3-azaspiro[5.5]undecane (CID 177171896) is 9-bromo-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-bromo-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-bromo-3-azaspiro[5.5]undecane is BrC1CCC2(CCNCC2)CC1.
What is the InChIKey of 9-bromo-3-azaspiro[5.5]undecane?
The InChIKey is OISMQUKNVLRJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN/c11-9-1-3-10(4-2-9)5-7-12-8-6-10/h9,12H,1-8H2.
What are the key properties of 9-bromo-3-azaspiro[5.5]undecane?
9-bromo-3-azaspiro[5.5]undecane has a molecular weight of 232.16 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-3-azaspiro[5.5]undecane is sourced from PubChem (CID 177171896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).