3-methyl-5-azoniaspiro[4.4]nonane

C9H18N+ — CID 2752220

IUPAC3-methyl-5-azoniaspiro[4.4]nonane
SMILESCC1CC[N+]2(CCCC2)C1
InChIInChI=1S/C9H18N/c1-9-4-7-10(8-9)5-2-3-6-10/h9H,2-8H2,1H3/q+1
InChIKeyUCBBCEVTLADGLV-UHFFFAOYSA-N
MW140.25 g/mol
LogP1.64
Rot. Bonds

About 3-methyl-5-azoniaspiro[4.4]nonane

3-methyl-5-azoniaspiro[4.4]nonane (PubChem CID 2752220) has the molecular formula C9H18N+ and a molecular weight of 140.25 g/mol. Its IUPAC name is 3-methyl-5-azoniaspiro[4.4]nonane.

Molecular Properties

Compound Name3-methyl-5-azoniaspiro[4.4]nonane
PubChem CID2752220
Molecular FormulaC9H18N+
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Name3-methyl-5-azoniaspiro[4.4]nonane
SMILESCC1CC[N+]2(CCCC2)C1
InChIInChI=1S/C9H18N/c1-9-4-7-10(8-9)5-2-3-6-10/h9H,2-8H2,1H3/q+1
InChIKeyUCBBCEVTLADGLV-UHFFFAOYSA-N
XLogP1.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 51.64
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 3-methyl-5-azoniaspiro[4.4]nonane?
The IUPAC name of 3-methyl-5-azoniaspiro[4.4]nonane (CID 2752220) is 3-methyl-5-azoniaspiro[4.4]nonane.
What is the SMILES notation for 3-methyl-5-azoniaspiro[4.4]nonane?
The canonical SMILES for 3-methyl-5-azoniaspiro[4.4]nonane is CC1CC[N+]2(CCCC2)C1.
What is the InChIKey of 3-methyl-5-azoniaspiro[4.4]nonane?
The InChIKey is UCBBCEVTLADGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N/c1-9-4-7-10(8-9)5-2-3-6-10/h9H,2-8H2,1H3/q+1.
What are the key properties of 3-methyl-5-azoniaspiro[4.4]nonane?
3-methyl-5-azoniaspiro[4.4]nonane has a molecular weight of 140.25 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-azoniaspiro[4.4]nonane is sourced from PubChem (CID 2752220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).