3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine

C26H33NP2 — CID 12578065

IUPAC3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCP(CCCP(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33NP2/c1-27(2)20-12-21-28(24-14-6-3-7-15-24)22-13-23-29(25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-11,14-19H,12-13,20-23H2,1-2H3
InChIKeyOXYYIUVFTFNNNU-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.27
Rot. Bonds11

About 3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine

3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine (PubChem CID 12578065) has the molecular formula C26H33NP2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine
PubChem CID12578065
Molecular FormulaC26H33NP2
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCP(CCCP(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33NP2/c1-27(2)20-12-21-28(24-14-6-3-7-15-24)22-13-23-29(25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-11,14-19H,12-13,20-23H2,1-2H3
InChIKeyOXYYIUVFTFNNNU-UHFFFAOYSA-N
XLogP5.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethyl-phenylphosphanyl]-N,N-dimethylethanamine
CID 70119668
diphenyl-[3-[phenyl(2-triethoxysilylethyl)phosphanyl]propyl]phosphane
CID 11181263
bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane
CID 58654516
bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol
CID 14871357
4-dimethylphosphanylbutyl(diphenyl)phosphane
CID 13159123
dipentyl(phenyl)phosphane
CID 3085487
3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+)
CID 134888828
3-diphenylphosphanylpropyl(diphenyl)phosphane;ethane;methanol;palladium;tetrafluoroborate
CID 19426377
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434
bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane
CID 102211792

Frequently Asked Questions

What is the IUPAC name of 3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine (CID 12578065) is 3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine is CN(C)CCCP(CCCP(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine?
The InChIKey is OXYYIUVFTFNNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NP2/c1-27(2)20-12-21-28(24-14-6-3-7-15-24)22-13-23-29(25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-11,14-19H,12-13,20-23H2,1-2H3.
What are the key properties of 3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine?
3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine has a molecular weight of 421.50 g/mol, XLogP of 5.27, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 12578065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).