N-[diethylamino(2-diphenylphosphanylethynyl)phosphanyl]-N-ethylethanamine

C22H30N2P2 — CID 608084

IUPACN-[diethylamino(2-diphenylphosphanylethynyl)phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(C#CP(c1ccccc1)c1ccccc1)N(CC)CC
InChIInChI=1S/C22H30N2P2/c1-5-23(6-2)26(24(7-3)8-4)20-19-25(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18H,5-8H2,1-4H3
InChIKeyJSWSVRODGBCASY-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.03
Rot. Bonds8

About N-[diethylamino(2-diphenylphosphanylethynyl)phosphanyl]-N-ethylethanamine

N-[diethylamino(2-diphenylphosphanylethynyl)phosphanyl]-N-ethylethanamine (PubChem CID 608084) has the molecular formula C22H30N2P2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[diethylamino(2-diphenylphosphanylethynyl)phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[diethylamino(2-diphenylphosphanylethynyl)phosphanyl]-N-ethylethanamine
PubChem CID608084
Molecular FormulaC22H30N2P2
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC NameN-[diethylamino(2-diphenylphosphanylethynyl)phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(C#CP(c1ccccc1)c1ccccc1)N(CC)CC
InChIInChI=1S/C22H30N2P2/c1-5-23(6-2)26(24(7-3)8-4)20-19-25(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18H,5-8H2,1-4H3
InChIKeyJSWSVRODGBCASY-UHFFFAOYSA-N
XLogP5.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-diphenylphosphanylethynyl)phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[diethylamino(2-diphenylphosphanylethynyl)phosphanyl]-N-ethylethanamine (CID 608084) is N-[diethylamino(2-diphenylphosphanylethynyl)phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[diethylamino(2-diphenylphosphanylethynyl)phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[diethylamino(2-diphenylphosphanylethynyl)phosphanyl]-N-ethylethanamine is CCN(CC)P(C#CP(c1ccccc1)c1ccccc1)N(CC)CC.
What is the InChIKey of N-[diethylamino(2-diphenylphosphanylethynyl)phosphanyl]-N-ethylethanamine?
The InChIKey is JSWSVRODGBCASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2P2/c1-5-23(6-2)26(24(7-3)8-4)20-19-25(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18H,5-8H2,1-4H3.
What are the key properties of N-[diethylamino(2-diphenylphosphanylethynyl)phosphanyl]-N-ethylethanamine?
N-[diethylamino(2-diphenylphosphanylethynyl)phosphanyl]-N-ethylethanamine has a molecular weight of 384.44 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethylamino(2-diphenylphosphanylethynyl)phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 608084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).