5-(2,2-dimethoxyethylphosphanyl)-3-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-3-propoxypentan-1-amine

C18H41NO5P2 — CID 87357811

IUPAC5-(2,2-dimethoxyethylphosphanyl)-3-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-3-propoxypentan-1-amine
SMILESCCCOC(CCN)(CCPCC(OC)OC)CCPCC(OC)OC
InChIInChI=1S/C18H41NO5P2/c1-6-11-24-18(7-10-19,8-12-25-14-16(20-2)21-3)9-13-26-15-17(22-4)23-5/h16-17,25-26H,6-15,19H2,1-5H3
InChIKeyUYZXRYXMGJNWMZ-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.88
Rot. Bonds19

About 5-(2,2-dimethoxyethylphosphanyl)-3-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-3-propoxypentan-1-amine

5-(2,2-dimethoxyethylphosphanyl)-3-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-3-propoxypentan-1-amine (PubChem CID 87357811) has the molecular formula C18H41NO5P2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 5-(2,2-dimethoxyethylphosphanyl)-3-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-3-propoxypentan-1-amine.

Molecular Properties

Compound Name5-(2,2-dimethoxyethylphosphanyl)-3-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-3-propoxypentan-1-amine
PubChem CID87357811
Molecular FormulaC18H41NO5P2
Molecular Weight413.48 g/mol
Exact Mass413.25
IUPAC Name5-(2,2-dimethoxyethylphosphanyl)-3-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-3-propoxypentan-1-amine
SMILESCCCOC(CCN)(CCPCC(OC)OC)CCPCC(OC)OC
InChIInChI=1S/C18H41NO5P2/c1-6-11-24-18(7-10-19,8-12-25-14-16(20-2)21-3)9-13-26-15-17(22-4)23-5/h16-17,25-26H,6-15,19H2,1-5H3
InChIKeyUYZXRYXMGJNWMZ-UHFFFAOYSA-N
XLogP2.88
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.88
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-dimethoxyethylphosphanyl)-3-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-3-propoxypentan-1-amine?
The IUPAC name of 5-(2,2-dimethoxyethylphosphanyl)-3-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-3-propoxypentan-1-amine (CID 87357811) is 5-(2,2-dimethoxyethylphosphanyl)-3-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-3-propoxypentan-1-amine.
What is the SMILES notation for 5-(2,2-dimethoxyethylphosphanyl)-3-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-3-propoxypentan-1-amine?
The canonical SMILES for 5-(2,2-dimethoxyethylphosphanyl)-3-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-3-propoxypentan-1-amine is CCCOC(CCN)(CCPCC(OC)OC)CCPCC(OC)OC.
What is the InChIKey of 5-(2,2-dimethoxyethylphosphanyl)-3-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-3-propoxypentan-1-amine?
The InChIKey is UYZXRYXMGJNWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41NO5P2/c1-6-11-24-18(7-10-19,8-12-25-14-16(20-2)21-3)9-13-26-15-17(22-4)23-5/h16-17,25-26H,6-15,19H2,1-5H3.
What are the key properties of 5-(2,2-dimethoxyethylphosphanyl)-3-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-3-propoxypentan-1-amine?
5-(2,2-dimethoxyethylphosphanyl)-3-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-3-propoxypentan-1-amine has a molecular weight of 413.48 g/mol, XLogP of 2.88, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethoxyethylphosphanyl)-3-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-3-propoxypentan-1-amine is sourced from PubChem (CID 87357811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).