5-(2,2-diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine

C19H43NO4P2 — CID 57290809

IUPAC5-(2,2-diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine
SMILESCCOC(CPCCC(CCN)CCPCC(OCC)OCC)OCC
InChIInChI=1S/C19H43NO4P2/c1-5-21-18(22-6-2)15-25-13-10-17(9-12-20)11-14-26-16-19(23-7-3)24-8-4/h17-19,25-26H,5-16,20H2,1-4H3
InChIKeyAJONGDXLPYPHSL-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.89
Rot. Bonds20

About 5-(2,2-diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine

5-(2,2-diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine (PubChem CID 57290809) has the molecular formula C19H43NO4P2 and a molecular weight of 411.50 g/mol. Its IUPAC name is 5-(2,2-diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name5-(2,2-diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine
PubChem CID57290809
Molecular FormulaC19H43NO4P2
Molecular Weight411.50 g/mol
Exact Mass411.27
IUPAC Name5-(2,2-diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine
SMILESCCOC(CPCCC(CCN)CCPCC(OCC)OCC)OCC
InChIInChI=1S/C19H43NO4P2/c1-5-21-18(22-6-2)15-25-13-10-17(9-12-20)11-14-26-16-19(23-7-3)24-8-4/h17-19,25-26H,5-16,20H2,1-4H3
InChIKeyAJONGDXLPYPHSL-UHFFFAOYSA-N
XLogP3.89
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 5-(2,2-diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine?
The IUPAC name of 5-(2,2-diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine (CID 57290809) is 5-(2,2-diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine.
What is the SMILES notation for 5-(2,2-diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine?
The canonical SMILES for 5-(2,2-diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine is CCOC(CPCCC(CCN)CCPCC(OCC)OCC)OCC.
What is the InChIKey of 5-(2,2-diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine?
The InChIKey is AJONGDXLPYPHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO4P2/c1-5-21-18(22-6-2)15-25-13-10-17(9-12-20)11-14-26-16-19(23-7-3)24-8-4/h17-19,25-26H,5-16,20H2,1-4H3.
What are the key properties of 5-(2,2-diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine?
5-(2,2-diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine has a molecular weight of 411.50 g/mol, XLogP of 3.89, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine is sourced from PubChem (CID 57290809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).