N'-[2-(diethylamino)ethyl]-N'-(2-diphenylphosphanylethyl)-N,N-diethylethane-1,2-diamine

C26H42N3P — CID 54573019

IUPACN'-[2-(diethylamino)ethyl]-N'-(2-diphenylphosphanylethyl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)CCN(CCN(CC)CC)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H42N3P/c1-5-27(6-2)19-21-29(22-20-28(7-3)8-4)23-24-30(25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18H,5-8,19-24H2,1-4H3
InChIKeyZYQNFICIECEXQA-UHFFFAOYSA-N
MW427.62 g/mol
LogP4.10
Rot. Bonds15

About N'-[2-(diethylamino)ethyl]-N'-(2-diphenylphosphanylethyl)-N,N-diethylethane-1,2-diamine

N'-[2-(diethylamino)ethyl]-N'-(2-diphenylphosphanylethyl)-N,N-diethylethane-1,2-diamine (PubChem CID 54573019) has the molecular formula C26H42N3P and a molecular weight of 427.62 g/mol. Its IUPAC name is N'-[2-(diethylamino)ethyl]-N'-(2-diphenylphosphanylethyl)-N,N-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(diethylamino)ethyl]-N'-(2-diphenylphosphanylethyl)-N,N-diethylethane-1,2-diamine
PubChem CID54573019
Molecular FormulaC26H42N3P
Molecular Weight427.62 g/mol
Exact Mass427.31
IUPAC NameN'-[2-(diethylamino)ethyl]-N'-(2-diphenylphosphanylethyl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)CCN(CCN(CC)CC)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H42N3P/c1-5-27(6-2)19-21-29(22-20-28(7-3)8-4)23-24-30(25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18H,5-8,19-24H2,1-4H3
InChIKeyZYQNFICIECEXQA-UHFFFAOYSA-N
XLogP4.10
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.62
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)ethyl]-N'-(2-diphenylphosphanylethyl)-N,N-diethylethane-1,2-diamine?
The IUPAC name of N'-[2-(diethylamino)ethyl]-N'-(2-diphenylphosphanylethyl)-N,N-diethylethane-1,2-diamine (CID 54573019) is N'-[2-(diethylamino)ethyl]-N'-(2-diphenylphosphanylethyl)-N,N-diethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(diethylamino)ethyl]-N'-(2-diphenylphosphanylethyl)-N,N-diethylethane-1,2-diamine?
The canonical SMILES for N'-[2-(diethylamino)ethyl]-N'-(2-diphenylphosphanylethyl)-N,N-diethylethane-1,2-diamine is CCN(CC)CCN(CCN(CC)CC)CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[2-(diethylamino)ethyl]-N'-(2-diphenylphosphanylethyl)-N,N-diethylethane-1,2-diamine?
The InChIKey is ZYQNFICIECEXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N3P/c1-5-27(6-2)19-21-29(22-20-28(7-3)8-4)23-24-30(25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18H,5-8,19-24H2,1-4H3.
What are the key properties of N'-[2-(diethylamino)ethyl]-N'-(2-diphenylphosphanylethyl)-N,N-diethylethane-1,2-diamine?
N'-[2-(diethylamino)ethyl]-N'-(2-diphenylphosphanylethyl)-N,N-diethylethane-1,2-diamine has a molecular weight of 427.62 g/mol, XLogP of 4.10, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)ethyl]-N'-(2-diphenylphosphanylethyl)-N,N-diethylethane-1,2-diamine is sourced from PubChem (CID 54573019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).