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

C17H39NO5P2 — CID 57062511

IUPAC2-[1,5-bis(3,3-dimethoxypropylphosphanyl)pentan-3-yloxy]ethanamine
SMILESCOC(CCPCCC(CCPCCC(OC)OC)OCCN)OC
InChIInChI=1S/C17H39NO5P2/c1-19-16(20-2)7-13-24-11-5-15(23-10-9-18)6-12-25-14-8-17(21-3)22-4/h15-17,24-25H,5-14,18H2,1-4H3
InChIKeySKHLZTIUOKDTAZ-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.49
Rot. Bonds19

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

2-[1,5-bis(3,3-dimethoxypropylphosphanyl)pentan-3-yloxy]ethanamine (PubChem CID 57062511) has the molecular formula C17H39NO5P2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[1,5-bis(3,3-dimethoxypropylphosphanyl)pentan-3-yloxy]ethanamine.

Molecular Properties

Compound Name2-[1,5-bis(3,3-dimethoxypropylphosphanyl)pentan-3-yloxy]ethanamine
PubChem CID57062511
Molecular FormulaC17H39NO5P2
Molecular Weight399.45 g/mol
Exact Mass399.23
IUPAC Name2-[1,5-bis(3,3-dimethoxypropylphosphanyl)pentan-3-yloxy]ethanamine
SMILESCOC(CCPCCC(CCPCCC(OC)OC)OCCN)OC
InChIInChI=1S/C17H39NO5P2/c1-19-16(20-2)7-13-24-11-5-15(23-10-9-18)6-12-25-14-8-17(21-3)22-4/h15-17,24-25H,5-14,18H2,1-4H3
InChIKeySKHLZTIUOKDTAZ-UHFFFAOYSA-N
XLogP2.49
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.49
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(3,3-dimethoxypropylphosphanyl)pentan-3-yloxy]ethanamine?
The IUPAC name of 2-[1,5-bis(3,3-dimethoxypropylphosphanyl)pentan-3-yloxy]ethanamine (CID 57062511) is 2-[1,5-bis(3,3-dimethoxypropylphosphanyl)pentan-3-yloxy]ethanamine.
What is the SMILES notation for 2-[1,5-bis(3,3-dimethoxypropylphosphanyl)pentan-3-yloxy]ethanamine?
The canonical SMILES for 2-[1,5-bis(3,3-dimethoxypropylphosphanyl)pentan-3-yloxy]ethanamine is COC(CCPCCC(CCPCCC(OC)OC)OCCN)OC.
What is the InChIKey of 2-[1,5-bis(3,3-dimethoxypropylphosphanyl)pentan-3-yloxy]ethanamine?
The InChIKey is SKHLZTIUOKDTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39NO5P2/c1-19-16(20-2)7-13-24-11-5-15(23-10-9-18)6-12-25-14-8-17(21-3)22-4/h15-17,24-25H,5-14,18H2,1-4H3.
What are the key properties of 2-[1,5-bis(3,3-dimethoxypropylphosphanyl)pentan-3-yloxy]ethanamine?
2-[1,5-bis(3,3-dimethoxypropylphosphanyl)pentan-3-yloxy]ethanamine has a molecular weight of 399.45 g/mol, XLogP of 2.49, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,5-bis(3,3-dimethoxypropylphosphanyl)pentan-3-yloxy]ethanamine is sourced from PubChem (CID 57062511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).