4-azoniaspiro[3.5]nonane bromide

C8H16BrN — CID 120999991

IUPAC4-azoniaspiro[3.5]nonane bromide
SMILESC1CC[N+]2(CC1)CCC2.[Br-]
InChIInChI=1S/C8H16N.BrH/c1-2-5-9(6-3-1)7-4-8-9;/h1-8H2;1H/q+1;/p-1
InChIKeyKKGPFPFTBASKGH-UHFFFAOYSA-M
MW206.13 g/mol
LogP-1.61
Rot. Bonds

About 4-azoniaspiro[3.5]nonane bromide

4-azoniaspiro[3.5]nonane bromide (PubChem CID 120999991) has the molecular formula C8H16BrN and a molecular weight of 206.13 g/mol. Its IUPAC name is 4-azoniaspiro[3.5]nonane bromide.

Molecular Properties

Compound Name4-azoniaspiro[3.5]nonane bromide
PubChem CID120999991
Molecular FormulaC8H16BrN
Molecular Weight206.13 g/mol
Exact Mass205.05
IUPAC Name4-azoniaspiro[3.5]nonane bromide
SMILESC1CC[N+]2(CC1)CCC2.[Br-]
InChIInChI=1S/C8H16N.BrH/c1-2-5-9(6-3-1)7-4-8-9;/h1-8H2;1H/q+1;/p-1
InChIKeyKKGPFPFTBASKGH-UHFFFAOYSA-M
XLogP-1.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 5-1.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azoniaspiro[3.5]nonane bromide?
The IUPAC name of 4-azoniaspiro[3.5]nonane bromide (CID 120999991) is 4-azoniaspiro[3.5]nonane bromide.
What is the SMILES notation for 4-azoniaspiro[3.5]nonane bromide?
The canonical SMILES for 4-azoniaspiro[3.5]nonane bromide is C1CC[N+]2(CC1)CCC2.[Br-].
What is the InChIKey of 4-azoniaspiro[3.5]nonane bromide?
The InChIKey is KKGPFPFTBASKGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N.BrH/c1-2-5-9(6-3-1)7-4-8-9;/h1-8H2;1H/q+1;/p-1.
What are the key properties of 4-azoniaspiro[3.5]nonane bromide?
4-azoniaspiro[3.5]nonane bromide has a molecular weight of 206.13 g/mol, XLogP of -1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azoniaspiro[3.5]nonane bromide is sourced from PubChem (CID 120999991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).