2-[2-[2-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethanamine

C33H47N3O5 — CID 59081096

IUPAC2-[2-[2-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCNCCOCCOCCOCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H47N3O5/c34-16-20-37-24-25-38-21-17-35-18-22-39-26-28-41-29-27-40-23-19-36-33(30-10-4-1-5-11-30,31-12-6-2-7-13-31)32-14-8-3-9-15-32/h1-15,35-36H,16-29,34H2
InChIKeyFHHMPNSZDRHMAP-UHFFFAOYSA-N
MW565.76 g/mol
LogP3.20
Rot. Bonds24

About 2-[2-[2-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethanamine (PubChem CID 59081096) has the molecular formula C33H47N3O5 and a molecular weight of 565.76 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethanamine
PubChem CID59081096
Molecular FormulaC33H47N3O5
Molecular Weight565.76 g/mol
Exact Mass565.35
IUPAC Name2-[2-[2-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCNCCOCCOCCOCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H47N3O5/c34-16-20-37-24-25-38-21-17-35-18-22-39-26-28-41-29-27-40-23-19-36-33(30-10-4-1-5-11-30,31-12-6-2-7-13-31)32-14-8-3-9-15-32/h1-15,35-36H,16-29,34H2
InChIKeyFHHMPNSZDRHMAP-UHFFFAOYSA-N
XLogP3.20
TPSA96.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.76
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethanamine (CID 59081096) is 2-[2-[2-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethanamine is NCCOCCOCCNCCOCCOCCOCCNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethanamine?
The InChIKey is FHHMPNSZDRHMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47N3O5/c34-16-20-37-24-25-38-21-17-35-18-22-39-26-28-41-29-27-40-23-19-36-33(30-10-4-1-5-11-30,31-12-6-2-7-13-31)32-14-8-3-9-15-32/h1-15,35-36H,16-29,34H2.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethanamine has a molecular weight of 565.76 g/mol, XLogP of 3.20, 24 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 59081096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).