5-(2,2-dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine

C25H55NO5P2 — CID 87357372

IUPAC5-(2,2-dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine
SMILESCCCOC(CPCCC(CCN)(CCPCC(OCCC)OCCC)OCC)OCCC
InChIInChI=1S/C25H55NO5P2/c1-6-15-27-23(28-16-7-2)21-32-19-12-25(11-14-26,31-10-5)13-20-33-22-24(29-17-8-3)30-18-9-4/h23-24,32-33H,6-22,26H2,1-5H3
InChIKeyPPDSEDTVACDDNJ-UHFFFAOYSA-N
MW511.67 g/mol
LogP5.61
Rot. Bonds26

About 5-(2,2-dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine

5-(2,2-dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine (PubChem CID 87357372) has the molecular formula C25H55NO5P2 and a molecular weight of 511.67 g/mol. Its IUPAC name is 5-(2,2-dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine.

Molecular Properties

Compound Name5-(2,2-dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine
PubChem CID87357372
Molecular FormulaC25H55NO5P2
Molecular Weight511.67 g/mol
Exact Mass511.36
IUPAC Name5-(2,2-dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine
SMILESCCCOC(CPCCC(CCN)(CCPCC(OCCC)OCCC)OCC)OCCC
InChIInChI=1S/C25H55NO5P2/c1-6-15-27-23(28-16-7-2)21-32-19-12-25(11-14-26,31-10-5)13-20-33-22-24(29-17-8-3)30-18-9-4/h23-24,32-33H,6-22,26H2,1-5H3
InChIKeyPPDSEDTVACDDNJ-UHFFFAOYSA-N
XLogP5.61
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine?
The IUPAC name of 5-(2,2-dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine (CID 87357372) is 5-(2,2-dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine.
What is the SMILES notation for 5-(2,2-dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine?
The canonical SMILES for 5-(2,2-dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine is CCCOC(CPCCC(CCN)(CCPCC(OCCC)OCCC)OCC)OCCC.
What is the InChIKey of 5-(2,2-dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine?
The InChIKey is PPDSEDTVACDDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H55NO5P2/c1-6-15-27-23(28-16-7-2)21-32-19-12-25(11-14-26,31-10-5)13-20-33-22-24(29-17-8-3)30-18-9-4/h23-24,32-33H,6-22,26H2,1-5H3.
What are the key properties of 5-(2,2-dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine?
5-(2,2-dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine has a molecular weight of 511.67 g/mol, XLogP of 5.61, 26 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine is sourced from PubChem (CID 87357372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).