3-butylselenomorpholine

C8H17NSe — CID 102520799

IUPAC3-butylselenomorpholine
SMILESCCCCC1C[Se]CCN1
InChIInChI=1S/C8H17NSe/c1-2-3-4-8-7-10-6-5-9-8/h8-9H,2-7H2,1H3
InChIKeyIOPAZKALCRAFDV-UHFFFAOYSA-N
MW206.19 g/mol
LogP1.69
Rot. Bonds3

About 3-butylselenomorpholine

3-butylselenomorpholine (PubChem CID 102520799) has the molecular formula C8H17NSe and a molecular weight of 206.19 g/mol. Its IUPAC name is 3-butylselenomorpholine.

Molecular Properties

Compound Name3-butylselenomorpholine
PubChem CID102520799
Molecular FormulaC8H17NSe
Molecular Weight206.19 g/mol
Exact Mass207.05
IUPAC Name3-butylselenomorpholine
SMILESCCCCC1C[Se]CCN1
InChIInChI=1S/C8H17NSe/c1-2-3-4-8-7-10-6-5-9-8/h8-9H,2-7H2,1H3
InChIKeyIOPAZKALCRAFDV-UHFFFAOYSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butylselenomorpholine?
The IUPAC name of 3-butylselenomorpholine (CID 102520799) is 3-butylselenomorpholine.
What is the SMILES notation for 3-butylselenomorpholine?
The canonical SMILES for 3-butylselenomorpholine is CCCCC1C[Se]CCN1.
What is the InChIKey of 3-butylselenomorpholine?
The InChIKey is IOPAZKALCRAFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NSe/c1-2-3-4-8-7-10-6-5-9-8/h8-9H,2-7H2,1H3.
What are the key properties of 3-butylselenomorpholine?
3-butylselenomorpholine has a molecular weight of 206.19 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylselenomorpholine is sourced from PubChem (CID 102520799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).