N-[4-[diethylamino(phenyl)phosphanyl]butyl-phenylphosphanyl]-N-ethylethanamine

C24H38N2P2 — CID 12932759

IUPACN-[4-[diethylamino(phenyl)phosphanyl]butyl-phenylphosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(CCCCP(c1ccccc1)N(CC)CC)c1ccccc1
InChIInChI=1S/C24H38N2P2/c1-5-25(6-2)27(23-17-11-9-12-18-23)21-15-16-22-28(26(7-3)8-4)24-19-13-10-14-20-24/h9-14,17-20H,5-8,15-16,21-22H2,1-4H3
InChIKeyZBSFLFRDIFNCOE-UHFFFAOYSA-N
MW416.53 g/mol
LogP5.89
Rot. Bonds13

About N-[4-[diethylamino(phenyl)phosphanyl]butyl-phenylphosphanyl]-N-ethylethanamine

N-[4-[diethylamino(phenyl)phosphanyl]butyl-phenylphosphanyl]-N-ethylethanamine (PubChem CID 12932759) has the molecular formula C24H38N2P2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[4-[diethylamino(phenyl)phosphanyl]butyl-phenylphosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[4-[diethylamino(phenyl)phosphanyl]butyl-phenylphosphanyl]-N-ethylethanamine
PubChem CID12932759
Molecular FormulaC24H38N2P2
Molecular Weight416.53 g/mol
Exact Mass416.25
IUPAC NameN-[4-[diethylamino(phenyl)phosphanyl]butyl-phenylphosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(CCCCP(c1ccccc1)N(CC)CC)c1ccccc1
InChIInChI=1S/C24H38N2P2/c1-5-25(6-2)27(23-17-11-9-12-18-23)21-15-16-22-28(26(7-3)8-4)24-19-13-10-14-20-24/h9-14,17-20H,5-8,15-16,21-22H2,1-4H3
InChIKeyZBSFLFRDIFNCOE-UHFFFAOYSA-N
XLogP5.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(diphenylphosphoryl)-N,N-diethylethanamine
CID 785453
3-(Diphenylphosphino)-N,N-dimethyl-1-propanamine
CID 120481
[4-[Bis(dipropylamino)-propylphosphaniumyl]phenyl]-bis(dipropylamino)-propylphosphanium
CID 3090591
Phenylbis(diethylamino)phosphine
CID 137129
3-(Diphenylphosphoryl)-N,N-dimethylpropan-1-amine
CID 120484
Phosphine sulfide, (3-(dimethylamino)propyl)diphenyl-
CID 120485
N-[(diphenylphosphoryl)methyl]-N-ethylethanamine
CID 796655
(2-(Dimethylamino)ethyl)triphenylphosphonium bromide
CID 2724136
Stk377126
CID 3722461
Ethanamine, 2-(diphenylphosphinyl)-n,n-dimethyl-
CID 796914
2-(Diphenylphosphanyl)-n,n-dimethylethanamine
CID 273266
Dimethylaminodiphenylphosphine
CID 11333675

Frequently Asked Questions

What is the IUPAC name of N-[4-[diethylamino(phenyl)phosphanyl]butyl-phenylphosphanyl]-N-ethylethanamine?
The IUPAC name of N-[4-[diethylamino(phenyl)phosphanyl]butyl-phenylphosphanyl]-N-ethylethanamine (CID 12932759) is N-[4-[diethylamino(phenyl)phosphanyl]butyl-phenylphosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[4-[diethylamino(phenyl)phosphanyl]butyl-phenylphosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[4-[diethylamino(phenyl)phosphanyl]butyl-phenylphosphanyl]-N-ethylethanamine is CCN(CC)P(CCCCP(c1ccccc1)N(CC)CC)c1ccccc1.
What is the InChIKey of N-[4-[diethylamino(phenyl)phosphanyl]butyl-phenylphosphanyl]-N-ethylethanamine?
The InChIKey is ZBSFLFRDIFNCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2P2/c1-5-25(6-2)27(23-17-11-9-12-18-23)21-15-16-22-28(26(7-3)8-4)24-19-13-10-14-20-24/h9-14,17-20H,5-8,15-16,21-22H2,1-4H3.
What are the key properties of N-[4-[diethylamino(phenyl)phosphanyl]butyl-phenylphosphanyl]-N-ethylethanamine?
N-[4-[diethylamino(phenyl)phosphanyl]butyl-phenylphosphanyl]-N-ethylethanamine has a molecular weight of 416.53 g/mol, XLogP of 5.89, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[diethylamino(phenyl)phosphanyl]butyl-phenylphosphanyl]-N-ethylethanamine is sourced from PubChem (CID 12932759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).