(1S,11S)-11-methyl-11-azoniatricyclo[4.4.1.03,11]undecane

C11H20N+ — CID 170413130

IUPAC(1S,11S)-11-methyl-11-azoniatricyclo[4.4.1.03,11]undecane
SMILESC[N@+]12C3CCCC[C@H]1CC2CC3
InChIInChI=1S/C11H20N/c1-12-9-4-2-3-5-10(12)8-11(12)7-6-9/h9-11H,2-8H2,1H3/q+1/t9?,10-,11?,12-/m0/s1
InChIKeyWKWRJSMTNQXAAP-ADPBJBESSA-N
MW166.29 g/mol
LogP2.31
Rot. Bonds

About (1S,11S)-11-methyl-11-azoniatricyclo[4.4.1.03,11]undecane

(1S,11S)-11-methyl-11-azoniatricyclo[4.4.1.03,11]undecane (PubChem CID 170413130) has the molecular formula C11H20N+ and a molecular weight of 166.29 g/mol. Its IUPAC name is (1S,11S)-11-methyl-11-azoniatricyclo[4.4.1.03,11]undecane.

Molecular Properties

Compound Name(1S,11S)-11-methyl-11-azoniatricyclo[4.4.1.03,11]undecane
PubChem CID170413130
Molecular FormulaC11H20N+
Molecular Weight166.29 g/mol
Exact Mass166.16
IUPAC Name(1S,11S)-11-methyl-11-azoniatricyclo[4.4.1.03,11]undecane
SMILESC[N@+]12C3CCCC[C@H]1CC2CC3
InChIInChI=1S/C11H20N/c1-12-9-4-2-3-5-10(12)8-11(12)7-6-9/h9-11H,2-8H2,1H3/q+1/t9?,10-,11?,12-/m0/s1
InChIKeyWKWRJSMTNQXAAP-ADPBJBESSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 52.31
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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Related Compounds

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CID 58991575
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Frequently Asked Questions

What is the IUPAC name of (1S,11S)-11-methyl-11-azoniatricyclo[4.4.1.03,11]undecane?
The IUPAC name of (1S,11S)-11-methyl-11-azoniatricyclo[4.4.1.03,11]undecane (CID 170413130) is (1S,11S)-11-methyl-11-azoniatricyclo[4.4.1.03,11]undecane.
What is the SMILES notation for (1S,11S)-11-methyl-11-azoniatricyclo[4.4.1.03,11]undecane?
The canonical SMILES for (1S,11S)-11-methyl-11-azoniatricyclo[4.4.1.03,11]undecane is C[N@+]12C3CCCC[C@H]1CC2CC3.
What is the InChIKey of (1S,11S)-11-methyl-11-azoniatricyclo[4.4.1.03,11]undecane?
The InChIKey is WKWRJSMTNQXAAP-ADPBJBESSA-N. The full InChI is InChI=1S/C11H20N/c1-12-9-4-2-3-5-10(12)8-11(12)7-6-9/h9-11H,2-8H2,1H3/q+1/t9?,10-,11?,12-/m0/s1.
What are the key properties of (1S,11S)-11-methyl-11-azoniatricyclo[4.4.1.03,11]undecane?
(1S,11S)-11-methyl-11-azoniatricyclo[4.4.1.03,11]undecane has a molecular weight of 166.29 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11S)-11-methyl-11-azoniatricyclo[4.4.1.03,11]undecane is sourced from PubChem (CID 170413130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).