1-[iodo(triphenyl)-lambda5-phosphanyl]-N-propan-2-ylpropan-2-amine

C24H29INP — CID 14323065

IUPAC1-[iodo(triphenyl)-lambda5-phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29INP/c1-20(2)26-21(3)19-27(25,22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,20-21,26H,19H2,1-3H3
InChIKeyOBLSRZIJGOGDCG-UHFFFAOYSA-N
MW489.38 g/mol
LogP5.25
Rot. Bonds7

About 1-[iodo(triphenyl)-lambda5-phosphanyl]-N-propan-2-ylpropan-2-amine

1-[iodo(triphenyl)-lambda5-phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 14323065) has the molecular formula C24H29INP and a molecular weight of 489.38 g/mol. Its IUPAC name is 1-[iodo(triphenyl)-lambda5-phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-[iodo(triphenyl)-lambda5-phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID14323065
Molecular FormulaC24H29INP
Molecular Weight489.38 g/mol
Exact Mass489.11
IUPAC Name1-[iodo(triphenyl)-lambda5-phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29INP/c1-20(2)26-21(3)19-27(25,22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,20-21,26H,19H2,1-3H3
InChIKeyOBLSRZIJGOGDCG-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.38
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[iodo(triphenyl)-lambda5-phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1-[iodo(triphenyl)-lambda5-phosphanyl]-N-propan-2-ylpropan-2-amine (CID 14323065) is 1-[iodo(triphenyl)-lambda5-phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1-[iodo(triphenyl)-lambda5-phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1-[iodo(triphenyl)-lambda5-phosphanyl]-N-propan-2-ylpropan-2-amine is CC(C)NC(C)CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[iodo(triphenyl)-lambda5-phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is OBLSRZIJGOGDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29INP/c1-20(2)26-21(3)19-27(25,22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,20-21,26H,19H2,1-3H3.
What are the key properties of 1-[iodo(triphenyl)-lambda5-phosphanyl]-N-propan-2-ylpropan-2-amine?
1-[iodo(triphenyl)-lambda5-phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 489.38 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[iodo(triphenyl)-lambda5-phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 14323065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).