9,9-dimethyl-1,5-diaza-9-azoniaspiro[5.5]undecane

C10H22N3+ — CID 91601018

IUPAC9,9-dimethyl-1,5-diaza-9-azoniaspiro[5.5]undecane
SMILESC[N+]1(C)CCC2(CC1)NCCCN2
InChIInChI=1S/C10H22N3/c1-13(2)8-4-10(5-9-13)11-6-3-7-12-10/h11-12H,3-9H2,1-2H3/q+1
InChIKeyDAASRIYOMKXZHA-UHFFFAOYSA-N
MW184.31 g/mol
LogP0.14
Rot. Bonds

About 9,9-dimethyl-1,5-diaza-9-azoniaspiro[5.5]undecane

9,9-dimethyl-1,5-diaza-9-azoniaspiro[5.5]undecane (PubChem CID 91601018) has the molecular formula C10H22N3+ and a molecular weight of 184.31 g/mol. Its IUPAC name is 9,9-dimethyl-1,5-diaza-9-azoniaspiro[5.5]undecane.

Molecular Properties

Compound Name9,9-dimethyl-1,5-diaza-9-azoniaspiro[5.5]undecane
PubChem CID91601018
Molecular FormulaC10H22N3+
Molecular Weight184.31 g/mol
Exact Mass184.18
IUPAC Name9,9-dimethyl-1,5-diaza-9-azoniaspiro[5.5]undecane
SMILESC[N+]1(C)CCC2(CC1)NCCCN2
InChIInChI=1S/C10H22N3/c1-13(2)8-4-10(5-9-13)11-6-3-7-12-10/h11-12H,3-9H2,1-2H3/q+1
InChIKeyDAASRIYOMKXZHA-UHFFFAOYSA-N
XLogP0.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 9,9-dimethyl-1,5-diaza-9-azoniaspiro[5.5]undecane?
The IUPAC name of 9,9-dimethyl-1,5-diaza-9-azoniaspiro[5.5]undecane (CID 91601018) is 9,9-dimethyl-1,5-diaza-9-azoniaspiro[5.5]undecane.
What is the SMILES notation for 9,9-dimethyl-1,5-diaza-9-azoniaspiro[5.5]undecane?
The canonical SMILES for 9,9-dimethyl-1,5-diaza-9-azoniaspiro[5.5]undecane is C[N+]1(C)CCC2(CC1)NCCCN2.
What is the InChIKey of 9,9-dimethyl-1,5-diaza-9-azoniaspiro[5.5]undecane?
The InChIKey is DAASRIYOMKXZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N3/c1-13(2)8-4-10(5-9-13)11-6-3-7-12-10/h11-12H,3-9H2,1-2H3/q+1.
What are the key properties of 9,9-dimethyl-1,5-diaza-9-azoniaspiro[5.5]undecane?
9,9-dimethyl-1,5-diaza-9-azoniaspiro[5.5]undecane has a molecular weight of 184.31 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-1,5-diaza-9-azoniaspiro[5.5]undecane is sourced from PubChem (CID 91601018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).