[3-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]methyl hypoiodite

C11H20INO — CID 170281724

IUPAC[3-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]methyl hypoiodite
SMILESNCCC1C2CCC(CC2)C1COI
InChIInChI=1S/C11H20INO/c12-14-7-11-9-3-1-8(2-4-9)10(11)5-6-13/h8-11H,1-7,13H2
InChIKeyQPSWJJVUBKJOMP-UHFFFAOYSA-N
MW309.19 g/mol
LogP2.75
Rot. Bonds4

About [3-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]methyl hypoiodite

[3-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]methyl hypoiodite (PubChem CID 170281724) has the molecular formula C11H20INO and a molecular weight of 309.19 g/mol. Its IUPAC name is [3-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]methyl hypoiodite.

Molecular Properties

Compound Name[3-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]methyl hypoiodite
PubChem CID170281724
Molecular FormulaC11H20INO
Molecular Weight309.19 g/mol
Exact Mass309.06
IUPAC Name[3-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]methyl hypoiodite
SMILESNCCC1C2CCC(CC2)C1COI
InChIInChI=1S/C11H20INO/c12-14-7-11-9-3-1-8(2-4-9)10(11)5-6-13/h8-11H,1-7,13H2
InChIKeyQPSWJJVUBKJOMP-UHFFFAOYSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 139364896
2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine
CID 139034685
3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine
CID 98524973
2-(8-bicyclo[3.2.1]oct-2-enyl)ethanamine
CID 141058052
9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol
CID 115016567
3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine
CID 54031632
[(1S,2R,3R,4R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 11309632
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine
CID 83906617
2-(2-aminoethyl)cyclobutane-1,1-diamine
CID 19101489
2-cycloheptatriacontylethanamine
CID 70967764
2-(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)ethanamine
CID 115021842
4-(2-aminoethyl)piperidine-3,5-diol
CID 82652211

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]methyl hypoiodite?
The IUPAC name of [3-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]methyl hypoiodite (CID 170281724) is [3-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]methyl hypoiodite.
What is the SMILES notation for [3-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]methyl hypoiodite?
The canonical SMILES for [3-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]methyl hypoiodite is NCCC1C2CCC(CC2)C1COI.
What is the InChIKey of [3-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]methyl hypoiodite?
The InChIKey is QPSWJJVUBKJOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20INO/c12-14-7-11-9-3-1-8(2-4-9)10(11)5-6-13/h8-11H,1-7,13H2.
What are the key properties of [3-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]methyl hypoiodite?
[3-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]methyl hypoiodite has a molecular weight of 309.19 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]methyl hypoiodite is sourced from PubChem (CID 170281724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).