2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine

C30H33NP2 — CID 76790534

IUPAC2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine
SMILESCC(CNCC(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33NP2/c1-25(32(27-15-7-3-8-16-27)28-17-9-4-10-18-28)23-31-24-26(2)33(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22,25-26,31H,23-24H2,1-2H3
InChIKeyGVZFHWINIPPADC-UHFFFAOYSA-N
MW469.55 g/mol
LogP5.62
Rot. Bonds10

About 2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine

2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine (PubChem CID 76790534) has the molecular formula C30H33NP2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine
PubChem CID76790534
Molecular FormulaC30H33NP2
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine
SMILESCC(CNCC(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33NP2/c1-25(32(27-15-7-3-8-16-27)28-17-9-4-10-18-28)23-31-24-26(2)33(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22,25-26,31H,23-24H2,1-2H3
InChIKeyGVZFHWINIPPADC-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine?
The IUPAC name of 2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine (CID 76790534) is 2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine.
What is the SMILES notation for 2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine?
The canonical SMILES for 2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine is CC(CNCC(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine?
The InChIKey is GVZFHWINIPPADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NP2/c1-25(32(27-15-7-3-8-16-27)28-17-9-4-10-18-28)23-31-24-26(2)33(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22,25-26,31H,23-24H2,1-2H3.
What are the key properties of 2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine?
2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine has a molecular weight of 469.55 g/mol, XLogP of 5.62, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine is sourced from PubChem (CID 76790534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).