3-ethyl-8-iodo-3,8-diazabicyclo[3.2.1]octane

C8H15IN2 — CID 134516695

IUPAC3-ethyl-8-iodo-3,8-diazabicyclo[3.2.1]octane
SMILESCCN1CC2CCC(C1)N2I
InChIInChI=1S/C8H15IN2/c1-2-10-5-7-3-4-8(6-10)11(7)9/h7-8H,2-6H2,1H3
InChIKeyXYNYNJXRFHGBOJ-UHFFFAOYSA-N
MW266.13 g/mol
LogP1.50
Rot. Bonds1

About 3-ethyl-8-iodo-3,8-diazabicyclo[3.2.1]octane

3-ethyl-8-iodo-3,8-diazabicyclo[3.2.1]octane (PubChem CID 134516695) has the molecular formula C8H15IN2 and a molecular weight of 266.13 g/mol. Its IUPAC name is 3-ethyl-8-iodo-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-ethyl-8-iodo-3,8-diazabicyclo[3.2.1]octane
PubChem CID134516695
Molecular FormulaC8H15IN2
Molecular Weight266.13 g/mol
Exact Mass266.03
IUPAC Name3-ethyl-8-iodo-3,8-diazabicyclo[3.2.1]octane
SMILESCCN1CC2CCC(C1)N2I
InChIInChI=1S/C8H15IN2/c1-2-10-5-7-3-4-8(6-10)11(7)9/h7-8H,2-6H2,1H3
InChIKeyXYNYNJXRFHGBOJ-UHFFFAOYSA-N
XLogP1.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone
CID 123960456
(3R)-1-ethyl-3,4-dimethylpyrrolidine
CID 144761230
1-(1-ethylazetidin-3-yl)piperidine
CID 69087799
2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 21427660
ethane;1-ethyl-3-fluoroazetidine
CID 145180834
3-ethyl-3-azabicyclo[3.1.0]hexane
CID 69176949
1-(1-ethylazetidin-3-yl)-2,5-dimethylpyrrole
CID 126993440
1-ethylazetidin-3-ol;hydrochloride
CID 57415896
3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 13320194
1-[1-(1-ethylazetidin-3-yl)piperidin-4-yl]ethanone
CID 155067124
1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane
CID 131160325
3-ethyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 171564868

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-iodo-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-ethyl-8-iodo-3,8-diazabicyclo[3.2.1]octane (CID 134516695) is 3-ethyl-8-iodo-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-ethyl-8-iodo-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-ethyl-8-iodo-3,8-diazabicyclo[3.2.1]octane is CCN1CC2CCC(C1)N2I.
What is the InChIKey of 3-ethyl-8-iodo-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is XYNYNJXRFHGBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IN2/c1-2-10-5-7-3-4-8(6-10)11(7)9/h7-8H,2-6H2,1H3.
What are the key properties of 3-ethyl-8-iodo-3,8-diazabicyclo[3.2.1]octane?
3-ethyl-8-iodo-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 266.13 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-iodo-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 134516695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).