(N-tert-butyl-C-morpholin-4-ylcarbonimidoyl)selanyllithium

C9H17LiN2OSe — CID 139239961

IUPAC(N-tert-butyl-C-morpholin-4-ylcarbonimidoyl)selanyllithium
SMILES[Li][Se]/C(=N\C(C)(C)C)N1CCOCC1
InChIInChI=1S/C9H18N2OSe.Li/c1-9(2,3)10-8(13)11-4-6-12-7-5-11;/h4-7H2,1-3H3,(H,10,13);/q;+1/p-1
InChIKeyWHHPOLCLDAUYTI-UHFFFAOYSA-M
MW255.15 g/mol
LogP0.26
Rot. Bonds1

About (N-tert-butyl-C-morpholin-4-ylcarbonimidoyl)selanyllithium

(N-tert-butyl-C-morpholin-4-ylcarbonimidoyl)selanyllithium (PubChem CID 139239961) has the molecular formula C9H17LiN2OSe and a molecular weight of 255.15 g/mol. Its IUPAC name is (N-tert-butyl-C-morpholin-4-ylcarbonimidoyl)selanyllithium.

Molecular Properties

Compound Name(N-tert-butyl-C-morpholin-4-ylcarbonimidoyl)selanyllithium
PubChem CID139239961
Molecular FormulaC9H17LiN2OSe
Molecular Weight255.15 g/mol
Exact Mass256.07
IUPAC Name(N-tert-butyl-C-morpholin-4-ylcarbonimidoyl)selanyllithium
SMILES[Li][Se]/C(=N\C(C)(C)C)N1CCOCC1
InChIInChI=1S/C9H18N2OSe.Li/c1-9(2,3)10-8(13)11-4-6-12-7-5-11;/h4-7H2,1-3H3,(H,10,13);/q;+1/p-1
InChIKeyWHHPOLCLDAUYTI-UHFFFAOYSA-M
XLogP0.26
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (N-tert-butyl-C-morpholin-4-ylcarbonimidoyl)selanyllithium?
The IUPAC name of (N-tert-butyl-C-morpholin-4-ylcarbonimidoyl)selanyllithium (CID 139239961) is (N-tert-butyl-C-morpholin-4-ylcarbonimidoyl)selanyllithium.
What is the SMILES notation for (N-tert-butyl-C-morpholin-4-ylcarbonimidoyl)selanyllithium?
The canonical SMILES for (N-tert-butyl-C-morpholin-4-ylcarbonimidoyl)selanyllithium is [Li][Se]/C(=N\C(C)(C)C)N1CCOCC1.
What is the InChIKey of (N-tert-butyl-C-morpholin-4-ylcarbonimidoyl)selanyllithium?
The InChIKey is WHHPOLCLDAUYTI-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18N2OSe.Li/c1-9(2,3)10-8(13)11-4-6-12-7-5-11;/h4-7H2,1-3H3,(H,10,13);/q;+1/p-1.
What are the key properties of (N-tert-butyl-C-morpholin-4-ylcarbonimidoyl)selanyllithium?
(N-tert-butyl-C-morpholin-4-ylcarbonimidoyl)selanyllithium has a molecular weight of 255.15 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (N-tert-butyl-C-morpholin-4-ylcarbonimidoyl)selanyllithium is sourced from PubChem (CID 139239961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).