N,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine

C33H41NO3P2Si — CID 15397513

IUPACN,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)(OCC)OCC
InChIInChI=1S/C33H41NO3P2Si/c1-4-35-40(36-5-2,37-6-3)29-19-28-34(38(30-20-11-7-12-21-30)31-22-13-8-14-23-31)39(32-24-15-9-16-25-32)33-26-17-10-18-27-33/h7-18,20-27H,4-6,19,28-29H2,1-3H3
InChIKeyROHJWUIQWDEMOT-UHFFFAOYSA-N
MW589.73 g/mol
LogP6.82
Rot. Bonds16

About N,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine

N,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine (PubChem CID 15397513) has the molecular formula C33H41NO3P2Si and a molecular weight of 589.73 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine
PubChem CID15397513
Molecular FormulaC33H41NO3P2Si
Molecular Weight589.73 g/mol
Exact Mass589.23
IUPAC NameN,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)(OCC)OCC
InChIInChI=1S/C33H41NO3P2Si/c1-4-35-40(36-5-2,37-6-3)29-19-28-34(38(30-20-11-7-12-21-30)31-22-13-8-14-23-31)39(32-24-15-9-16-25-32)33-26-17-10-18-27-33/h7-18,20-27H,4-6,19,28-29H2,1-3H3
InChIKeyROHJWUIQWDEMOT-UHFFFAOYSA-N
XLogP6.82
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.73
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(diphenylphosphanyl)hexan-1-amine
CID 88592099
diphenyl-[3-[phenyl(2-triethoxysilylethyl)phosphanyl]propyl]phosphane
CID 11181263
N'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
CID 67479240
N-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine
CID 118967803
triethoxy(5-phenoxypentyl)silane
CID 69261827
toluene;3-triethoxysilylpropane-1-thiol
CID 159252127
3-(benzotriazol-2-yl)propyl-triethoxysilane
CID 168967771
2-[ethoxy(dimethoxy)silyl]ethyl-diphenylphosphane
CID 134945563
benzene;3-triethoxysilylpropane-1-thiol
CID 157185435
triethoxy(2-triphenylsilylethyl)silane
CID 71398175
sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide
CID 139829561
N,N-bis(diphenylphosphanyl)-2-hexylsulfanylethanamine
CID 102588137

Frequently Asked Questions

What is the IUPAC name of N,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine?
The IUPAC name of N,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine (CID 15397513) is N,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine?
The canonical SMILES for N,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine is CCO[Si](CCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)(OCC)OCC.
What is the InChIKey of N,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine?
The InChIKey is ROHJWUIQWDEMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41NO3P2Si/c1-4-35-40(36-5-2,37-6-3)29-19-28-34(38(30-20-11-7-12-21-30)31-22-13-8-14-23-31)39(32-24-15-9-16-25-32)33-26-17-10-18-27-33/h7-18,20-27H,4-6,19,28-29H2,1-3H3.
What are the key properties of N,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine?
N,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine has a molecular weight of 589.73 g/mol, XLogP of 6.82, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 15397513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).