5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-ethoxypentan-1-amine

C25H55NO5P2 — CID 87357387

About 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-ethoxypentan-1-amine

5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-ethoxypentan-1-amine (PubChem CID 87357387) has the molecular formula C25H55NO5P2 and a molecular weight of 511.67 g/mol. Its IUPAC name is 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-ethoxypentan-1-amine.

Molecular Properties

• Compound Name: 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-ethoxypentan-1-amine
• PubChem CID: 87357387
• Molecular Formula: C25H55NO5P2
• Molecular Weight: 511.67 g/mol
• Exact Mass: 511.36
• IUPAC Name: 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-ethoxypentan-1-amine
• SMILES: CCOC(CCN)(CCPCC(OC(C)C)OC(C)C)CCPCC(OC(C)C)OC(C)C
• InChI: InChI=1S/C25H55NO5P2/c1-10-27-25(11-14-26,12-15-32-17-23(28-19(2)3)29-20(4)5)13-16-33-18-24(30-21(6)7)31-22(8)9/h19-24,32-33H,10-18,26H2,1-9H3
• InChIKey: TZYFAWVSXKGKAM-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 72.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 22
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.67
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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'}

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-ethoxypentan-1-amine?

The IUPAC name of 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-ethoxypentan-1-amine (CID 87357387) is 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-ethoxypentan-1-amine.

What is the SMILES notation for 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-ethoxypentan-1-amine?

The canonical SMILES for 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-ethoxypentan-1-amine is CCOC(CCN)(CCPCC(OC(C)C)OC(C)C)CCPCC(OC(C)C)OC(C)C.

What is the InChIKey of 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-ethoxypentan-1-amine?

The InChIKey is TZYFAWVSXKGKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H55NO5P2/c1-10-27-25(11-14-26,12-15-32-17-23(28-19(2)3)29-20(4)5)13-16-33-18-24(30-21(6)7)31-22(8)9/h19-24,32-33H,10-18,26H2,1-9H3.

What are the key properties of 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-ethoxypentan-1-amine?

5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-ethoxypentan-1-amine has a molecular weight of 511.67 g/mol, XLogP of 5.60, 22 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,2-di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-ethoxypentan-1-amine is sourced from PubChem (CID 87357387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).