6,6-dimethyl-2-aza-6-azoniaspiro[3.4]octane

C8H17N2+ — CID 123751773

IUPAC6,6-dimethyl-2-aza-6-azoniaspiro[3.4]octane
SMILESC[N+]1(C)CCC2(CNC2)C1
InChIInChI=1S/C8H17N2/c1-10(2)4-3-8(7-10)5-9-6-8/h9H,3-7H2,1-2H3/q+1
InChIKeyDPKHFYHQJVLEER-UHFFFAOYSA-N
MW141.24 g/mol
LogP0.06
Rot. Bonds

About 6,6-dimethyl-2-aza-6-azoniaspiro[3.4]octane

6,6-dimethyl-2-aza-6-azoniaspiro[3.4]octane (PubChem CID 123751773) has the molecular formula C8H17N2+ and a molecular weight of 141.24 g/mol. Its IUPAC name is 6,6-dimethyl-2-aza-6-azoniaspiro[3.4]octane.

Molecular Properties

Compound Name6,6-dimethyl-2-aza-6-azoniaspiro[3.4]octane
PubChem CID123751773
Molecular FormulaC8H17N2+
Molecular Weight141.24 g/mol
Exact Mass141.14
IUPAC Name6,6-dimethyl-2-aza-6-azoniaspiro[3.4]octane
SMILESC[N+]1(C)CCC2(CNC2)C1
InChIInChI=1S/C8H17N2/c1-10(2)4-3-8(7-10)5-9-6-8/h9H,3-7H2,1-2H3/q+1
InChIKeyDPKHFYHQJVLEER-UHFFFAOYSA-N
XLogP0.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 6,6-dimethyl-2-aza-6-azoniaspiro[3.4]octane?
The IUPAC name of 6,6-dimethyl-2-aza-6-azoniaspiro[3.4]octane (CID 123751773) is 6,6-dimethyl-2-aza-6-azoniaspiro[3.4]octane.
What is the SMILES notation for 6,6-dimethyl-2-aza-6-azoniaspiro[3.4]octane?
The canonical SMILES for 6,6-dimethyl-2-aza-6-azoniaspiro[3.4]octane is C[N+]1(C)CCC2(CNC2)C1.
What is the InChIKey of 6,6-dimethyl-2-aza-6-azoniaspiro[3.4]octane?
The InChIKey is DPKHFYHQJVLEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2/c1-10(2)4-3-8(7-10)5-9-6-8/h9H,3-7H2,1-2H3/q+1.
What are the key properties of 6,6-dimethyl-2-aza-6-azoniaspiro[3.4]octane?
6,6-dimethyl-2-aza-6-azoniaspiro[3.4]octane has a molecular weight of 141.24 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-aza-6-azoniaspiro[3.4]octane is sourced from PubChem (CID 123751773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).