2-methyl-2-aza-5-azoniaspiro[4.4]nonane

C8H17N2+ — CID 162288915

IUPAC2-methyl-2-aza-5-azoniaspiro[4.4]nonane
SMILESCN1CC[N+]2(CCCC2)C1
InChIInChI=1S/C8H17N2/c1-9-4-7-10(8-9)5-2-3-6-10/h2-8H2,1H3/q+1
InChIKeyDTGDWCHOIOICDL-UHFFFAOYSA-N
MW141.24 g/mol
LogP0.50
Rot. Bonds

About 2-methyl-2-aza-5-azoniaspiro[4.4]nonane

2-methyl-2-aza-5-azoniaspiro[4.4]nonane (PubChem CID 162288915) has the molecular formula C8H17N2+ and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-methyl-2-aza-5-azoniaspiro[4.4]nonane.

Molecular Properties

Compound Name2-methyl-2-aza-5-azoniaspiro[4.4]nonane
PubChem CID162288915
Molecular FormulaC8H17N2+
Molecular Weight141.24 g/mol
Exact Mass141.14
IUPAC Name2-methyl-2-aza-5-azoniaspiro[4.4]nonane
SMILESCN1CC[N+]2(CCCC2)C1
InChIInChI=1S/C8H17N2/c1-9-4-7-10(8-9)5-2-3-6-10/h2-8H2,1H3/q+1
InChIKeyDTGDWCHOIOICDL-UHFFFAOYSA-N
XLogP0.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-1-oxido-1,3-diazinan-1-ium
CID 18519068
methane;1,1,4-trimethylpiperazin-1-ium
CID 160518182
1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten
CID 158402178
5-azoniaspiro[4.4]nonane;chloride;hydrate
CID 139201464
8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane
CID 152824720
3-methyl-1-propan-2-ylimidazolidin-1-ium-1-sulfonic acid
CID 141286411
1-tert-butyl-1,4-dimethylpiperazin-1-ium
CID 58529148
1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794
1-methylpyrrolidine;phosphane
CID 159655297
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213
1-methylpiperidine
CID 160757527
CID 172772830
CID 172772830

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-aza-5-azoniaspiro[4.4]nonane?
The IUPAC name of 2-methyl-2-aza-5-azoniaspiro[4.4]nonane (CID 162288915) is 2-methyl-2-aza-5-azoniaspiro[4.4]nonane.
What is the SMILES notation for 2-methyl-2-aza-5-azoniaspiro[4.4]nonane?
The canonical SMILES for 2-methyl-2-aza-5-azoniaspiro[4.4]nonane is CN1CC[N+]2(CCCC2)C1.
What is the InChIKey of 2-methyl-2-aza-5-azoniaspiro[4.4]nonane?
The InChIKey is DTGDWCHOIOICDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2/c1-9-4-7-10(8-9)5-2-3-6-10/h2-8H2,1H3/q+1.
What are the key properties of 2-methyl-2-aza-5-azoniaspiro[4.4]nonane?
2-methyl-2-aza-5-azoniaspiro[4.4]nonane has a molecular weight of 141.24 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-aza-5-azoniaspiro[4.4]nonane is sourced from PubChem (CID 162288915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).