2-azoniabicyclo[2.1.1]hexane

C5H10N+ — CID 59346884

IUPAC2-azoniabicyclo[2.1.1]hexane
SMILESC1[NH2+]C2CC1C2
InChIInChI=1S/C5H9N/c1-4-2-5(1)6-3-4/h4-6H,1-3H2/p+1
InChIKeyHAHYXYKFMHJMIE-UHFFFAOYSA-O
MW84.14 g/mol
LogP-0.66
Rot. Bonds

About 2-azoniabicyclo[2.1.1]hexane

2-azoniabicyclo[2.1.1]hexane (PubChem CID 59346884) has the molecular formula C5H10N+ and a molecular weight of 84.14 g/mol. Its IUPAC name is 2-azoniabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name2-azoniabicyclo[2.1.1]hexane
PubChem CID59346884
Molecular FormulaC5H10N+
Molecular Weight84.14 g/mol
Exact Mass84.08
IUPAC Name2-azoniabicyclo[2.1.1]hexane
SMILESC1[NH2+]C2CC1C2
InChIInChI=1S/C5H9N/c1-4-2-5(1)6-3-4/h4-6H,1-3H2/p+1
InChIKeyHAHYXYKFMHJMIE-UHFFFAOYSA-O
XLogP-0.66
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.14
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-Methyl-2-azabicyclo[2.1.1]hexane
CID 11788264
2-Azabicyclo(2.1.1)hexane hydrochloride
CID 55219746
1-Methyl-2-azabicyclo(2.1.1)hexane hydrochloride
CID 55300816
4-Fluoro-2-azabicyclo[2.1.1]hexane hydrochloride
CID 138991281
2-Azabicyclo(2.1.1)hexane
CID 22101702
1-(Fluoromethyl)-2-azabicyclo(2.1.1)hexane hydrochloride
CID 122164127
4-Methyl-2-azabicyclo(2.1.1)hexane hydrochloride
CID 165605158
2-Azabicyclo[2.1.1]hexyl amine
CID 145234636
5-Fluoro-2-azabicyclo[2.1.1]hexane
CID 76223233
4-Methyl-2-azabicyclo[2.1.1]hexane
CID 105426929
4-Fluoro-2-azabicyclo[2.1.1]hexane
CID 138991282
(1S,4R,5S)-5-fluoro-2-azabicyclo[2.1.1]hexane
CID 55280748

Frequently Asked Questions

What is the IUPAC name of 2-azoniabicyclo[2.1.1]hexane?
The IUPAC name of 2-azoniabicyclo[2.1.1]hexane (CID 59346884) is 2-azoniabicyclo[2.1.1]hexane.
What is the SMILES notation for 2-azoniabicyclo[2.1.1]hexane?
The canonical SMILES for 2-azoniabicyclo[2.1.1]hexane is C1[NH2+]C2CC1C2.
What is the InChIKey of 2-azoniabicyclo[2.1.1]hexane?
The InChIKey is HAHYXYKFMHJMIE-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9N/c1-4-2-5(1)6-3-4/h4-6H,1-3H2/p+1.
What are the key properties of 2-azoniabicyclo[2.1.1]hexane?
2-azoniabicyclo[2.1.1]hexane has a molecular weight of 84.14 g/mol, XLogP of -0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azoniabicyclo[2.1.1]hexane is sourced from PubChem (CID 59346884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).