N-bis[tris(trimethylsilyl)silyl]phosphanyl-N-ethylethanamine

C22H64NPSi8 — CID 177429358

IUPACN-bis[tris(trimethylsilyl)silyl]phosphanyl-N-ethylethanamine
SMILESCCN(CC)P([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C22H64NPSi8/c1-21-23(22-2)24(31(25(3,4)5,26(6,7)8)27(9,10)11)32(28(12,13)14,29(15,16)17)30(18,19)20/h21-22H2,1-20H3
InChIKeyHRJKAZJBXICAJG-UHFFFAOYSA-N
MW598.42 g/mol
LogP9.12
Rot. Bonds11

About N-bis[tris(trimethylsilyl)silyl]phosphanyl-N-ethylethanamine

N-bis[tris(trimethylsilyl)silyl]phosphanyl-N-ethylethanamine (PubChem CID 177429358) has the molecular formula C22H64NPSi8 and a molecular weight of 598.42 g/mol. Its IUPAC name is N-bis[tris(trimethylsilyl)silyl]phosphanyl-N-ethylethanamine.

Molecular Properties

Compound NameN-bis[tris(trimethylsilyl)silyl]phosphanyl-N-ethylethanamine
PubChem CID177429358
Molecular FormulaC22H64NPSi8
Molecular Weight598.42 g/mol
Exact Mass597.29
IUPAC NameN-bis[tris(trimethylsilyl)silyl]phosphanyl-N-ethylethanamine
SMILESCCN(CC)P([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C22H64NPSi8/c1-21-23(22-2)24(31(25(3,4)5,26(6,7)8)27(9,10)11)32(28(12,13)14,29(15,16)17)30(18,19)20/h21-22H2,1-20H3
InChIKeyHRJKAZJBXICAJG-UHFFFAOYSA-N
XLogP9.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.42
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bis[tris(trimethylsilyl)silyl]phosphanyl-N-ethylethanamine?
The IUPAC name of N-bis[tris(trimethylsilyl)silyl]phosphanyl-N-ethylethanamine (CID 177429358) is N-bis[tris(trimethylsilyl)silyl]phosphanyl-N-ethylethanamine.
What is the SMILES notation for N-bis[tris(trimethylsilyl)silyl]phosphanyl-N-ethylethanamine?
The canonical SMILES for N-bis[tris(trimethylsilyl)silyl]phosphanyl-N-ethylethanamine is CCN(CC)P([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of N-bis[tris(trimethylsilyl)silyl]phosphanyl-N-ethylethanamine?
The InChIKey is HRJKAZJBXICAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H64NPSi8/c1-21-23(22-2)24(31(25(3,4)5,26(6,7)8)27(9,10)11)32(28(12,13)14,29(15,16)17)30(18,19)20/h21-22H2,1-20H3.
What are the key properties of N-bis[tris(trimethylsilyl)silyl]phosphanyl-N-ethylethanamine?
N-bis[tris(trimethylsilyl)silyl]phosphanyl-N-ethylethanamine has a molecular weight of 598.42 g/mol, XLogP of 9.12, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis[tris(trimethylsilyl)silyl]phosphanyl-N-ethylethanamine is sourced from PubChem (CID 177429358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).