N,N-bis[2-[bis(2-methoxyethyl)phosphanyl]ethyl]-2-methoxyethanamine

C19H43NO5P2 — CID 59378719

IUPACN,N-bis[2-[bis(2-methoxyethyl)phosphanyl]ethyl]-2-methoxyethanamine
SMILESCOCCN(CCP(CCOC)CCOC)CCP(CCOC)CCOC
InChIInChI=1S/C19H43NO5P2/c1-21-9-6-20(7-14-26(16-10-22-2)17-11-23-3)8-15-27(18-12-24-4)19-13-25-5/h6-19H2,1-5H3
InChIKeyQJCAYLJGDKILCN-UHFFFAOYSA-N
MW427.50 g/mol
LogP2.48
Rot. Bonds21

About N,N-bis[2-[bis(2-methoxyethyl)phosphanyl]ethyl]-2-methoxyethanamine

N,N-bis[2-[bis(2-methoxyethyl)phosphanyl]ethyl]-2-methoxyethanamine (PubChem CID 59378719) has the molecular formula C19H43NO5P2 and a molecular weight of 427.50 g/mol. Its IUPAC name is N,N-bis[2-[bis(2-methoxyethyl)phosphanyl]ethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN,N-bis[2-[bis(2-methoxyethyl)phosphanyl]ethyl]-2-methoxyethanamine
PubChem CID59378719
Molecular FormulaC19H43NO5P2
Molecular Weight427.50 g/mol
Exact Mass427.26
IUPAC NameN,N-bis[2-[bis(2-methoxyethyl)phosphanyl]ethyl]-2-methoxyethanamine
SMILESCOCCN(CCP(CCOC)CCOC)CCP(CCOC)CCOC
InChIInChI=1S/C19H43NO5P2/c1-21-9-6-20(7-14-26(16-10-22-2)17-11-23-3)8-15-27(18-12-24-4)19-13-25-5/h6-19H2,1-5H3
InChIKeyQJCAYLJGDKILCN-UHFFFAOYSA-N
XLogP2.48
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.48
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,N-bis[2-[bis(2-methoxyethyl)phosphanyl]ethyl]-2-methoxyethanamine?
The IUPAC name of N,N-bis[2-[bis(2-methoxyethyl)phosphanyl]ethyl]-2-methoxyethanamine (CID 59378719) is N,N-bis[2-[bis(2-methoxyethyl)phosphanyl]ethyl]-2-methoxyethanamine.
What is the SMILES notation for N,N-bis[2-[bis(2-methoxyethyl)phosphanyl]ethyl]-2-methoxyethanamine?
The canonical SMILES for N,N-bis[2-[bis(2-methoxyethyl)phosphanyl]ethyl]-2-methoxyethanamine is COCCN(CCP(CCOC)CCOC)CCP(CCOC)CCOC.
What is the InChIKey of N,N-bis[2-[bis(2-methoxyethyl)phosphanyl]ethyl]-2-methoxyethanamine?
The InChIKey is QJCAYLJGDKILCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO5P2/c1-21-9-6-20(7-14-26(16-10-22-2)17-11-23-3)8-15-27(18-12-24-4)19-13-25-5/h6-19H2,1-5H3.
What are the key properties of N,N-bis[2-[bis(2-methoxyethyl)phosphanyl]ethyl]-2-methoxyethanamine?
N,N-bis[2-[bis(2-methoxyethyl)phosphanyl]ethyl]-2-methoxyethanamine has a molecular weight of 427.50 g/mol, XLogP of 2.48, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-[bis(2-methoxyethyl)phosphanyl]ethyl]-2-methoxyethanamine is sourced from PubChem (CID 59378719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).