butyl N-tert-butylmorpholine-4-carboximidoselenoate

C13H26N2OSe — CID 139239921

IUPACbutyl N-tert-butylmorpholine-4-carboximidoselenoate
SMILESCCCC[Se]/C(=N\C(C)(C)C)N1CCOCC1
InChIInChI=1S/C13H26N2OSe/c1-5-6-11-17-12(14-13(2,3)4)15-7-9-16-10-8-15/h5-11H2,1-4H3/b14-12-
InChIKeyJWPBMNIJIKOUPG-OWBHPGMISA-N
MW305.32 g/mol
LogP2.40
Rot. Bonds4

About butyl N-tert-butylmorpholine-4-carboximidoselenoate

butyl N-tert-butylmorpholine-4-carboximidoselenoate (PubChem CID 139239921) has the molecular formula C13H26N2OSe and a molecular weight of 305.32 g/mol. Its IUPAC name is butyl N-tert-butylmorpholine-4-carboximidoselenoate.

Molecular Properties

Compound Namebutyl N-tert-butylmorpholine-4-carboximidoselenoate
PubChem CID139239921
Molecular FormulaC13H26N2OSe
Molecular Weight305.32 g/mol
Exact Mass306.12
IUPAC Namebutyl N-tert-butylmorpholine-4-carboximidoselenoate
SMILESCCCC[Se]/C(=N\C(C)(C)C)N1CCOCC1
InChIInChI=1S/C13H26N2OSe/c1-5-6-11-17-12(14-13(2,3)4)15-7-9-16-10-8-15/h5-11H2,1-4H3/b14-12-
InChIKeyJWPBMNIJIKOUPG-OWBHPGMISA-N
XLogP2.40
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze butyl N-tert-butylmorpholine-4-carboximidoselenoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butyl N-tert-butylmorpholine-4-carboximidoselenoate?
The IUPAC name of butyl N-tert-butylmorpholine-4-carboximidoselenoate (CID 139239921) is butyl N-tert-butylmorpholine-4-carboximidoselenoate.
What is the SMILES notation for butyl N-tert-butylmorpholine-4-carboximidoselenoate?
The canonical SMILES for butyl N-tert-butylmorpholine-4-carboximidoselenoate is CCCC[Se]/C(=N\C(C)(C)C)N1CCOCC1.
What is the InChIKey of butyl N-tert-butylmorpholine-4-carboximidoselenoate?
The InChIKey is JWPBMNIJIKOUPG-OWBHPGMISA-N. The full InChI is InChI=1S/C13H26N2OSe/c1-5-6-11-17-12(14-13(2,3)4)15-7-9-16-10-8-15/h5-11H2,1-4H3/b14-12-.
What are the key properties of butyl N-tert-butylmorpholine-4-carboximidoselenoate?
butyl N-tert-butylmorpholine-4-carboximidoselenoate has a molecular weight of 305.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-tert-butylmorpholine-4-carboximidoselenoate is sourced from PubChem (CID 139239921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).