N-[diethylamino(2-phenylethynyl)phosphinoselenoyl]-N-ethylethanamine

C16H25N2PSe — CID 134869608

IUPACN-[diethylamino(2-phenylethynyl)phosphinoselenoyl]-N-ethylethanamine
SMILESCCN(CC)P(=[Se])(C#Cc1ccccc1)N(CC)CC
InChIInChI=1S/C16H25N2PSe/c1-5-17(6-2)19(20,18(7-3)8-4)15-14-16-12-10-9-11-13-16/h9-13H,5-8H2,1-4H3
InChIKeyHEIWOWOKHPJNCJ-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.61
Rot. Bonds6

About N-[diethylamino(2-phenylethynyl)phosphinoselenoyl]-N-ethylethanamine

N-[diethylamino(2-phenylethynyl)phosphinoselenoyl]-N-ethylethanamine (PubChem CID 134869608) has the molecular formula C16H25N2PSe and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[diethylamino(2-phenylethynyl)phosphinoselenoyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[diethylamino(2-phenylethynyl)phosphinoselenoyl]-N-ethylethanamine
PubChem CID134869608
Molecular FormulaC16H25N2PSe
Molecular Weight355.32 g/mol
Exact Mass356.09
IUPAC NameN-[diethylamino(2-phenylethynyl)phosphinoselenoyl]-N-ethylethanamine
SMILESCCN(CC)P(=[Se])(C#Cc1ccccc1)N(CC)CC
InChIInChI=1S/C16H25N2PSe/c1-5-17(6-2)19(20,18(7-3)8-4)15-14-16-12-10-9-11-13-16/h9-13H,5-8H2,1-4H3
InChIKeyHEIWOWOKHPJNCJ-UHFFFAOYSA-N
XLogP3.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[diethylamino(2-phenylethynyl)phosphinoselenoyl]-N-ethylethanamine?
The IUPAC name of N-[diethylamino(2-phenylethynyl)phosphinoselenoyl]-N-ethylethanamine (CID 134869608) is N-[diethylamino(2-phenylethynyl)phosphinoselenoyl]-N-ethylethanamine.
What is the SMILES notation for N-[diethylamino(2-phenylethynyl)phosphinoselenoyl]-N-ethylethanamine?
The canonical SMILES for N-[diethylamino(2-phenylethynyl)phosphinoselenoyl]-N-ethylethanamine is CCN(CC)P(=[Se])(C#Cc1ccccc1)N(CC)CC.
What is the InChIKey of N-[diethylamino(2-phenylethynyl)phosphinoselenoyl]-N-ethylethanamine?
The InChIKey is HEIWOWOKHPJNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N2PSe/c1-5-17(6-2)19(20,18(7-3)8-4)15-14-16-12-10-9-11-13-16/h9-13H,5-8H2,1-4H3.
What are the key properties of N-[diethylamino(2-phenylethynyl)phosphinoselenoyl]-N-ethylethanamine?
N-[diethylamino(2-phenylethynyl)phosphinoselenoyl]-N-ethylethanamine has a molecular weight of 355.32 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethylamino(2-phenylethynyl)phosphinoselenoyl]-N-ethylethanamine is sourced from PubChem (CID 134869608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).