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

C23H51NO5P2 — CID 87357758

IUPAC5-(3,3-diethoxypropylphosphanyl)-3-[2-(3,3-diethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine
SMILESCCOC(CCPCCC(CCN)(CCPCCC(OCC)OCC)OCC)OCC
InChIInChI=1S/C23H51NO5P2/c1-6-25-21(26-7-2)11-17-30-19-14-23(13-16-24,29-10-5)15-20-31-18-12-22(27-8-3)28-9-4/h21-22,30-31H,6-20,24H2,1-5H3
InChIKeySFVFYYKYNPPDRR-UHFFFAOYSA-N
MW483.61 g/mol
LogP4.83
Rot. Bonds24

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

5-(3,3-diethoxypropylphosphanyl)-3-[2-(3,3-diethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine (PubChem CID 87357758) has the molecular formula C23H51NO5P2 and a molecular weight of 483.61 g/mol. Its IUPAC name is 5-(3,3-diethoxypropylphosphanyl)-3-[2-(3,3-diethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine.

Molecular Properties

Compound Name5-(3,3-diethoxypropylphosphanyl)-3-[2-(3,3-diethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine
PubChem CID87357758
Molecular FormulaC23H51NO5P2
Molecular Weight483.61 g/mol
Exact Mass483.32
IUPAC Name5-(3,3-diethoxypropylphosphanyl)-3-[2-(3,3-diethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine
SMILESCCOC(CCPCCC(CCN)(CCPCCC(OCC)OCC)OCC)OCC
InChIInChI=1S/C23H51NO5P2/c1-6-25-21(26-7-2)11-17-30-19-14-23(13-16-24,29-10-5)15-20-31-18-12-22(27-8-3)28-9-4/h21-22,30-31H,6-20,24H2,1-5H3
InChIKeySFVFYYKYNPPDRR-UHFFFAOYSA-N
XLogP4.83
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.83
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-(3,3-diethoxypropylphosphanyl)-3-[2-(3,3-diethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine?
The IUPAC name of 5-(3,3-diethoxypropylphosphanyl)-3-[2-(3,3-diethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine (CID 87357758) is 5-(3,3-diethoxypropylphosphanyl)-3-[2-(3,3-diethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine.
What is the SMILES notation for 5-(3,3-diethoxypropylphosphanyl)-3-[2-(3,3-diethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine?
The canonical SMILES for 5-(3,3-diethoxypropylphosphanyl)-3-[2-(3,3-diethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine is CCOC(CCPCCC(CCN)(CCPCCC(OCC)OCC)OCC)OCC.
What is the InChIKey of 5-(3,3-diethoxypropylphosphanyl)-3-[2-(3,3-diethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine?
The InChIKey is SFVFYYKYNPPDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H51NO5P2/c1-6-25-21(26-7-2)11-17-30-19-14-23(13-16-24,29-10-5)15-20-31-18-12-22(27-8-3)28-9-4/h21-22,30-31H,6-20,24H2,1-5H3.
What are the key properties of 5-(3,3-diethoxypropylphosphanyl)-3-[2-(3,3-diethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine?
5-(3,3-diethoxypropylphosphanyl)-3-[2-(3,3-diethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine has a molecular weight of 483.61 g/mol, XLogP of 4.83, 24 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-diethoxypropylphosphanyl)-3-[2-(3,3-diethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine is sourced from PubChem (CID 87357758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).