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

C35H45NO3P2Si — CID 102256625

IUPACN,N-bis(diphenylphosphanylmethyl)-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1)(OCC)OCC
InChIInChI=1S/C35H45NO3P2Si/c1-4-37-42(38-5-2,39-6-3)29-19-28-36(30-40(32-20-11-7-12-21-32)33-22-13-8-14-23-33)31-41(34-24-15-9-16-25-34)35-26-17-10-18-27-35/h7-18,20-27H,4-6,19,28-31H2,1-3H3
InChIKeyCOWAWBPCENPPGN-UHFFFAOYSA-N
MW617.78 g/mol
LogP6.91
Rot. Bonds18

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

N,N-bis(diphenylphosphanylmethyl)-3-triethoxysilylpropan-1-amine (PubChem CID 102256625) has the molecular formula C35H45NO3P2Si and a molecular weight of 617.78 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanylmethyl)-3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanylmethyl)-3-triethoxysilylpropan-1-amine
PubChem CID102256625
Molecular FormulaC35H45NO3P2Si
Molecular Weight617.78 g/mol
Exact Mass617.26
IUPAC NameN,N-bis(diphenylphosphanylmethyl)-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1)(OCC)OCC
InChIInChI=1S/C35H45NO3P2Si/c1-4-37-42(38-5-2,39-6-3)29-19-28-36(30-40(32-20-11-7-12-21-32)33-22-13-8-14-23-33)31-41(34-24-15-9-16-25-34)35-26-17-10-18-27-35/h7-18,20-27H,4-6,19,28-31H2,1-3H3
InChIKeyCOWAWBPCENPPGN-UHFFFAOYSA-N
XLogP6.91
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.78
LogP ≤ 56.91
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'}

Analyze N,N-bis(diphenylphosphanylmethyl)-3-triethoxysilylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(diphenylphosphanylmethyl)-3-triethoxysilylpropan-1-amine?
The IUPAC name of N,N-bis(diphenylphosphanylmethyl)-3-triethoxysilylpropan-1-amine (CID 102256625) is N,N-bis(diphenylphosphanylmethyl)-3-triethoxysilylpropan-1-amine.
What is the SMILES notation for N,N-bis(diphenylphosphanylmethyl)-3-triethoxysilylpropan-1-amine?
The canonical SMILES for N,N-bis(diphenylphosphanylmethyl)-3-triethoxysilylpropan-1-amine is CCO[Si](CCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1)(OCC)OCC.
What is the InChIKey of N,N-bis(diphenylphosphanylmethyl)-3-triethoxysilylpropan-1-amine?
The InChIKey is COWAWBPCENPPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45NO3P2Si/c1-4-37-42(38-5-2,39-6-3)29-19-28-36(30-40(32-20-11-7-12-21-32)33-22-13-8-14-23-33)31-41(34-24-15-9-16-25-34)35-26-17-10-18-27-35/h7-18,20-27H,4-6,19,28-31H2,1-3H3.
What are the key properties of N,N-bis(diphenylphosphanylmethyl)-3-triethoxysilylpropan-1-amine?
N,N-bis(diphenylphosphanylmethyl)-3-triethoxysilylpropan-1-amine has a molecular weight of 617.78 g/mol, XLogP of 6.91, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanylmethyl)-3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 102256625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).