N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dihydroxy)silyl]propan-1-amine;hydroxy(trimethyl)silane

C34H47NO4P2Si2 — CID 139211826

IUPACN,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dihydroxy)silyl]propan-1-amine;hydroxy(trimethyl)silane
SMILESCCO[Si](O)(O)CCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.C[Si](C)(C)O
InChIInChI=1S/C31H37NO3P2Si.C3H10OSi/c1-2-35-38(33,34)25-15-24-32(26-36(28-16-7-3-8-17-28)29-18-9-4-10-19-29)27-37(30-20-11-5-12-21-30)31-22-13-6-14-23-31;1-5(2,3)4/h3-14,16-23,33-34H,2,15,24-27H2,1H3;4H,1-3H3
InChIKeyDOTSYPHHHZAVEI-UHFFFAOYSA-N
MW651.87 g/mol
LogP5.63
Rot. Bonds14

About N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dihydroxy)silyl]propan-1-amine;hydroxy(trimethyl)silane

N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dihydroxy)silyl]propan-1-amine;hydroxy(trimethyl)silane (PubChem CID 139211826) has the molecular formula C34H47NO4P2Si2 and a molecular weight of 651.87 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dihydroxy)silyl]propan-1-amine;hydroxy(trimethyl)silane.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dihydroxy)silyl]propan-1-amine;hydroxy(trimethyl)silane
PubChem CID139211826
Molecular FormulaC34H47NO4P2Si2
Molecular Weight651.87 g/mol
Exact Mass651.25
IUPAC NameN,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dihydroxy)silyl]propan-1-amine;hydroxy(trimethyl)silane
SMILESCCO[Si](O)(O)CCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.C[Si](C)(C)O
InChIInChI=1S/C31H37NO3P2Si.C3H10OSi/c1-2-35-38(33,34)25-15-24-32(26-36(28-16-7-3-8-17-28)29-18-9-4-10-19-29)27-37(30-20-11-5-12-21-30)31-22-13-6-14-23-31;1-5(2,3)4/h3-14,16-23,33-34H,2,15,24-27H2,1H3;4H,1-3H3
InChIKeyDOTSYPHHHZAVEI-UHFFFAOYSA-N
XLogP5.63
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.87
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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(dihydroxy)silyl]propan-1-amine;hydroxy(trimethyl)silane?
The IUPAC name of N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dihydroxy)silyl]propan-1-amine;hydroxy(trimethyl)silane (CID 139211826) is N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dihydroxy)silyl]propan-1-amine;hydroxy(trimethyl)silane.
What is the SMILES notation for N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dihydroxy)silyl]propan-1-amine;hydroxy(trimethyl)silane?
The canonical SMILES for N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dihydroxy)silyl]propan-1-amine;hydroxy(trimethyl)silane is CCO[Si](O)(O)CCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.C[Si](C)(C)O.
What is the InChIKey of N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dihydroxy)silyl]propan-1-amine;hydroxy(trimethyl)silane?
The InChIKey is DOTSYPHHHZAVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37NO3P2Si.C3H10OSi/c1-2-35-38(33,34)25-15-24-32(26-36(28-16-7-3-8-17-28)29-18-9-4-10-19-29)27-37(30-20-11-5-12-21-30)31-22-13-6-14-23-31;1-5(2,3)4/h3-14,16-23,33-34H,2,15,24-27H2,1H3;4H,1-3H3.
What are the key properties of N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dihydroxy)silyl]propan-1-amine;hydroxy(trimethyl)silane?
N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dihydroxy)silyl]propan-1-amine;hydroxy(trimethyl)silane has a molecular weight of 651.87 g/mol, XLogP of 5.63, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanylmethyl)-3-[ethoxy(dihydroxy)silyl]propan-1-amine;hydroxy(trimethyl)silane is sourced from PubChem (CID 139211826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).