N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)ethanamine

C11H27NO5P2 — CID 12030538

IUPACN-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)ethanamine
SMILESCCOP(OCC)N(CC)CP(=O)(OCC)OCC
InChIInChI=1S/C11H27NO5P2/c1-6-12(18(14-7-2)15-8-3)11-19(13,16-9-4)17-10-5/h6-11H2,1-5H3
InChIKeyFSIWMXLPMZPXNV-UHFFFAOYSA-N
MW315.29 g/mol
LogP3.83
Rot. Bonds12

About N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)ethanamine

N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)ethanamine (PubChem CID 12030538) has the molecular formula C11H27NO5P2 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)ethanamine.

Molecular Properties

Compound NameN-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)ethanamine
PubChem CID12030538
Molecular FormulaC11H27NO5P2
Molecular Weight315.29 g/mol
Exact Mass315.14
IUPAC NameN-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)ethanamine
SMILESCCOP(OCC)N(CC)CP(=O)(OCC)OCC
InChIInChI=1S/C11H27NO5P2/c1-6-12(18(14-7-2)15-8-3)11-19(13,16-9-4)17-10-5/h6-11H2,1-5H3
InChIKeyFSIWMXLPMZPXNV-UHFFFAOYSA-N
XLogP3.83
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)ethanamine?
The IUPAC name of N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)ethanamine (CID 12030538) is N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)ethanamine.
What is the SMILES notation for N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)ethanamine?
The canonical SMILES for N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)ethanamine is CCOP(OCC)N(CC)CP(=O)(OCC)OCC.
What is the InChIKey of N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)ethanamine?
The InChIKey is FSIWMXLPMZPXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NO5P2/c1-6-12(18(14-7-2)15-8-3)11-19(13,16-9-4)17-10-5/h6-11H2,1-5H3.
What are the key properties of N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)ethanamine?
N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)ethanamine has a molecular weight of 315.29 g/mol, XLogP of 3.83, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)ethanamine is sourced from PubChem (CID 12030538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).