N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dimethoxy)silyl]propan-1-amine

C33H41NO3P2Si — CID 134939494

IUPACN,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dimethoxy)silyl]propan-1-amine
SMILESCCO[Si](CCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1)(OC)OC
InChIInChI=1S/C33H41NO3P2Si/c1-4-37-40(35-2,36-3)27-17-26-34(28-38(30-18-9-5-10-19-30)31-20-11-6-12-21-31)29-39(32-22-13-7-14-23-32)33-24-15-8-16-25-33/h5-16,18-25H,4,17,26-29H2,1-3H3
InChIKeyYRKMVXLAXVKVIO-UHFFFAOYSA-N
MW589.73 g/mol
LogP6.13
Rot. Bonds16

About N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dimethoxy)silyl]propan-1-amine

N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dimethoxy)silyl]propan-1-amine (PubChem CID 134939494) has the molecular formula C33H41NO3P2Si and a molecular weight of 589.73 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dimethoxy)silyl]propan-1-amine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dimethoxy)silyl]propan-1-amine
PubChem CID134939494
Molecular FormulaC33H41NO3P2Si
Molecular Weight589.73 g/mol
Exact Mass589.23
IUPAC NameN,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dimethoxy)silyl]propan-1-amine
SMILESCCO[Si](CCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1)(OC)OC
InChIInChI=1S/C33H41NO3P2Si/c1-4-37-40(35-2,36-3)27-17-26-34(28-38(30-18-9-5-10-19-30)31-20-11-6-12-21-31)29-39(32-22-13-7-14-23-32)33-24-15-8-16-25-33/h5-16,18-25H,4,17,26-29H2,1-3H3
InChIKeyYRKMVXLAXVKVIO-UHFFFAOYSA-N
XLogP6.13
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 ≤ 56.13
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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Frequently Asked Questions

What is the IUPAC name of N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dimethoxy)silyl]propan-1-amine?
The IUPAC name of N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dimethoxy)silyl]propan-1-amine (CID 134939494) is N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dimethoxy)silyl]propan-1-amine.
What is the SMILES notation for N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dimethoxy)silyl]propan-1-amine?
The canonical SMILES for N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dimethoxy)silyl]propan-1-amine is CCO[Si](CCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1)(OC)OC.
What is the InChIKey of N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dimethoxy)silyl]propan-1-amine?
The InChIKey is YRKMVXLAXVKVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41NO3P2Si/c1-4-37-40(35-2,36-3)27-17-26-34(28-38(30-18-9-5-10-19-30)31-20-11-6-12-21-31)29-39(32-22-13-7-14-23-32)33-24-15-8-16-25-33/h5-16,18-25H,4,17,26-29H2,1-3H3.
What are the key properties of N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dimethoxy)silyl]propan-1-amine?
N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dimethoxy)silyl]propan-1-amine has a molecular weight of 589.73 g/mol, XLogP of 6.13, 16 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-[ethoxy(dimethoxy)silyl]propan-1-amine is sourced from PubChem (CID 134939494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).