1-azoniabicyclo[3.3.2]decane

C9H18N+ — CID 173033534

IUPAC1-azoniabicyclo[3.3.2]decane
SMILESC1CC2CCC[NH+](C1)CC2
InChIInChI=1S/C9H17N/c1-3-9-4-2-7-10(6-1)8-5-9/h9H,1-8H2/p+1
InChIKeyYITZOSUJSBBKAK-UHFFFAOYSA-O
MW140.25 g/mol
LogP0.47
Rot. Bonds

About 1-azoniabicyclo[3.3.2]decane

1-azoniabicyclo[3.3.2]decane (PubChem CID 173033534) has the molecular formula C9H18N+ and a molecular weight of 140.25 g/mol. Its IUPAC name is 1-azoniabicyclo[3.3.2]decane.

Molecular Properties

Compound Name1-azoniabicyclo[3.3.2]decane
PubChem CID173033534
Molecular FormulaC9H18N+
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Name1-azoniabicyclo[3.3.2]decane
SMILESC1CC2CCC[NH+](C1)CC2
InChIInChI=1S/C9H17N/c1-3-9-4-2-7-10(6-1)8-5-9/h9H,1-8H2/p+1
InChIKeyYITZOSUJSBBKAK-UHFFFAOYSA-O
XLogP0.47
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3,7-Diazabicyclo[3.3.2]decane
CID 18942852
1-Azoniabicyclo[3.2.2]nonane
CID 19705330
3-Azabicyclo[3.3.2]decane
CID 19708725
1-Azabicyclo[3.3.2]decane
CID 20521847
2,8-Diazabicyclo[3.3.2]decane
CID 69701471
2,7-Diazabicyclo[3.3.2]decane
CID 118210432
10-Methyl-3,10-diazabicyclo[5.5.0]dodecane
CID 130417842
3-Methyl-3,9-diazabicyclo[5.5.0]dodecane
CID 130417843
3-Methyl-3,11-diazabicyclo[5.5.0]dodecane
CID 130417844
3-Methanidyl-3-azoniabicyclo[3.2.2]nonane
CID 140732888
3-Methyl-3-azoniabicyclo[3.2.2]nonane
CID 140769750
3-Methyl-3,7-diazabicyclo[3.3.2]decane
CID 167216474

Frequently Asked Questions

What is the IUPAC name of 1-azoniabicyclo[3.3.2]decane?
The IUPAC name of 1-azoniabicyclo[3.3.2]decane (CID 173033534) is 1-azoniabicyclo[3.3.2]decane.
What is the SMILES notation for 1-azoniabicyclo[3.3.2]decane?
The canonical SMILES for 1-azoniabicyclo[3.3.2]decane is C1CC2CCC[NH+](C1)CC2.
What is the InChIKey of 1-azoniabicyclo[3.3.2]decane?
The InChIKey is YITZOSUJSBBKAK-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17N/c1-3-9-4-2-7-10(6-1)8-5-9/h9H,1-8H2/p+1.
What are the key properties of 1-azoniabicyclo[3.3.2]decane?
1-azoniabicyclo[3.3.2]decane has a molecular weight of 140.25 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azoniabicyclo[3.3.2]decane is sourced from PubChem (CID 173033534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).