3-azoniabicyclo[3.2.1]octane

C7H14N+ — CID 19799079

IUPAC3-azoniabicyclo[3.2.1]octane
SMILESC1CC2C[NH2+]CC1C2
InChIInChI=1S/C7H13N/c1-2-7-3-6(1)4-8-5-7/h6-8H,1-5H2/p+1
InChIKeyCJQNJRRDTPULTL-UHFFFAOYSA-O
MW112.20 g/mol
LogP-0.02
Rot. Bonds

About 3-azoniabicyclo[3.2.1]octane

3-azoniabicyclo[3.2.1]octane (PubChem CID 19799079) has the molecular formula C7H14N+ and a molecular weight of 112.20 g/mol. Its IUPAC name is 3-azoniabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-azoniabicyclo[3.2.1]octane
PubChem CID19799079
Molecular FormulaC7H14N+
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC Name3-azoniabicyclo[3.2.1]octane
SMILESC1CC2C[NH2+]CC1C2
InChIInChI=1S/C7H13N/c1-2-7-3-6(1)4-8-5-7/h6-8H,1-5H2/p+1
InChIKeyCJQNJRRDTPULTL-UHFFFAOYSA-O
XLogP-0.02
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-azoniabicyclo[3.2.1]octane?
The IUPAC name of 3-azoniabicyclo[3.2.1]octane (CID 19799079) is 3-azoniabicyclo[3.2.1]octane.
What is the SMILES notation for 3-azoniabicyclo[3.2.1]octane?
The canonical SMILES for 3-azoniabicyclo[3.2.1]octane is C1CC2C[NH2+]CC1C2.
What is the InChIKey of 3-azoniabicyclo[3.2.1]octane?
The InChIKey is CJQNJRRDTPULTL-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13N/c1-2-7-3-6(1)4-8-5-7/h6-8H,1-5H2/p+1.
What are the key properties of 3-azoniabicyclo[3.2.1]octane?
3-azoniabicyclo[3.2.1]octane has a molecular weight of 112.20 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azoniabicyclo[3.2.1]octane is sourced from PubChem (CID 19799079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).