2-[1,5-bis(2,2-diethoxyethylphosphanyl)pentan-3-yloxy]ethanamine

C19H43NO5P2 — CID 57321941

IUPAC2-[1,5-bis(2,2-diethoxyethylphosphanyl)pentan-3-yloxy]ethanamine
SMILESCCOC(CPCCC(CCPCC(OCC)OCC)OCCN)OCC
InChIInChI=1S/C19H43NO5P2/c1-5-21-18(22-6-2)15-26-13-9-17(25-12-11-20)10-14-27-16-19(23-7-3)24-8-4/h17-19,26-27H,5-16,20H2,1-4H3
InChIKeyPGJYEXJGJKHLKY-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.27
Rot. Bonds21

About 2-[1,5-bis(2,2-diethoxyethylphosphanyl)pentan-3-yloxy]ethanamine

2-[1,5-bis(2,2-diethoxyethylphosphanyl)pentan-3-yloxy]ethanamine (PubChem CID 57321941) has the molecular formula C19H43NO5P2 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[1,5-bis(2,2-diethoxyethylphosphanyl)pentan-3-yloxy]ethanamine.

Molecular Properties

Compound Name2-[1,5-bis(2,2-diethoxyethylphosphanyl)pentan-3-yloxy]ethanamine
PubChem CID57321941
Molecular FormulaC19H43NO5P2
Molecular Weight427.50 g/mol
Exact Mass427.26
IUPAC Name2-[1,5-bis(2,2-diethoxyethylphosphanyl)pentan-3-yloxy]ethanamine
SMILESCCOC(CPCCC(CCPCC(OCC)OCC)OCCN)OCC
InChIInChI=1S/C19H43NO5P2/c1-5-21-18(22-6-2)15-26-13-9-17(25-12-11-20)10-14-27-16-19(23-7-3)24-8-4/h17-19,26-27H,5-16,20H2,1-4H3
InChIKeyPGJYEXJGJKHLKY-UHFFFAOYSA-N
XLogP3.27
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.27
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 2-[1,5-bis(2,2-diethoxyethylphosphanyl)pentan-3-yloxy]ethanamine?
The IUPAC name of 2-[1,5-bis(2,2-diethoxyethylphosphanyl)pentan-3-yloxy]ethanamine (CID 57321941) is 2-[1,5-bis(2,2-diethoxyethylphosphanyl)pentan-3-yloxy]ethanamine.
What is the SMILES notation for 2-[1,5-bis(2,2-diethoxyethylphosphanyl)pentan-3-yloxy]ethanamine?
The canonical SMILES for 2-[1,5-bis(2,2-diethoxyethylphosphanyl)pentan-3-yloxy]ethanamine is CCOC(CPCCC(CCPCC(OCC)OCC)OCCN)OCC.
What is the InChIKey of 2-[1,5-bis(2,2-diethoxyethylphosphanyl)pentan-3-yloxy]ethanamine?
The InChIKey is PGJYEXJGJKHLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO5P2/c1-5-21-18(22-6-2)15-26-13-9-17(25-12-11-20)10-14-27-16-19(23-7-3)24-8-4/h17-19,26-27H,5-16,20H2,1-4H3.
What are the key properties of 2-[1,5-bis(2,2-diethoxyethylphosphanyl)pentan-3-yloxy]ethanamine?
2-[1,5-bis(2,2-diethoxyethylphosphanyl)pentan-3-yloxy]ethanamine has a molecular weight of 427.50 g/mol, XLogP of 3.27, 21 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,5-bis(2,2-diethoxyethylphosphanyl)pentan-3-yloxy]ethanamine is sourced from PubChem (CID 57321941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).