N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-2-methoxyethanamine

C19H43NO5P2 — CID 54283133

IUPACN,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-2-methoxyethanamine
SMILESCCOC(C)(OCC)PCCN(CCOC)CCPC(C)(OCC)OCC
InChIInChI=1S/C19H43NO5P2/c1-8-22-18(5,23-9-2)26-16-13-20(12-15-21-7)14-17-27-19(6,24-10-3)25-11-4/h26-27H,8-17H2,1-7H3
InChIKeyRSEOKWSQPFKXHW-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.79
Rot. Bonds19

About N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-2-methoxyethanamine

N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-2-methoxyethanamine (PubChem CID 54283133) has the molecular formula C19H43NO5P2 and a molecular weight of 427.50 g/mol. Its IUPAC name is N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-2-methoxyethanamine
PubChem CID54283133
Molecular FormulaC19H43NO5P2
Molecular Weight427.50 g/mol
Exact Mass427.26
IUPAC NameN,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-2-methoxyethanamine
SMILESCCOC(C)(OCC)PCCN(CCOC)CCPC(C)(OCC)OCC
InChIInChI=1S/C19H43NO5P2/c1-8-22-18(5,23-9-2)26-16-13-20(12-15-21-7)14-17-27-19(6,24-10-3)25-11-4/h26-27H,8-17H2,1-7H3
InChIKeyRSEOKWSQPFKXHW-UHFFFAOYSA-N
XLogP3.79
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-2-methoxyethanamine?
The IUPAC name of N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-2-methoxyethanamine (CID 54283133) is N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-2-methoxyethanamine.
What is the SMILES notation for N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-2-methoxyethanamine?
The canonical SMILES for N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-2-methoxyethanamine is CCOC(C)(OCC)PCCN(CCOC)CCPC(C)(OCC)OCC.
What is the InChIKey of N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-2-methoxyethanamine?
The InChIKey is RSEOKWSQPFKXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO5P2/c1-8-22-18(5,23-9-2)26-16-13-20(12-15-21-7)14-17-27-19(6,24-10-3)25-11-4/h26-27H,8-17H2,1-7H3.
What are the key properties of N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-2-methoxyethanamine?
N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-2-methoxyethanamine has a molecular weight of 427.50 g/mol, XLogP of 3.79, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-2-methoxyethanamine is sourced from PubChem (CID 54283133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).