N,N-bis[2-(1,1-dipropoxyethylphosphanyl)ethyl]-1-ethoxyethanamine

C24H53NO5P2 — CID 87357464

IUPACN,N-bis[2-(1,1-dipropoxyethylphosphanyl)ethyl]-1-ethoxyethanamine
SMILESCCCOC(C)(OCCC)PCCN(CCPC(C)(OCCC)OCCC)C(C)OCC
InChIInChI=1S/C24H53NO5P2/c1-9-16-27-23(7,28-17-10-2)31-20-14-25(22(6)26-13-5)15-21-32-24(8,29-18-11-3)30-19-12-4/h22,31-32H,9-21H2,1-8H3
InChIKeyAOUIYMUUQQSRDY-UHFFFAOYSA-N
MW497.64 g/mol
LogP6.08
Rot. Bonds23

About N,N-bis[2-(1,1-dipropoxyethylphosphanyl)ethyl]-1-ethoxyethanamine

N,N-bis[2-(1,1-dipropoxyethylphosphanyl)ethyl]-1-ethoxyethanamine (PubChem CID 87357464) has the molecular formula C24H53NO5P2 and a molecular weight of 497.64 g/mol. Its IUPAC name is N,N-bis[2-(1,1-dipropoxyethylphosphanyl)ethyl]-1-ethoxyethanamine.

Molecular Properties

Compound NameN,N-bis[2-(1,1-dipropoxyethylphosphanyl)ethyl]-1-ethoxyethanamine
PubChem CID87357464
Molecular FormulaC24H53NO5P2
Molecular Weight497.64 g/mol
Exact Mass497.34
IUPAC NameN,N-bis[2-(1,1-dipropoxyethylphosphanyl)ethyl]-1-ethoxyethanamine
SMILESCCCOC(C)(OCCC)PCCN(CCPC(C)(OCCC)OCCC)C(C)OCC
InChIInChI=1S/C24H53NO5P2/c1-9-16-27-23(7,28-17-10-2)31-20-14-25(22(6)26-13-5)15-21-32-24(8,29-18-11-3)30-19-12-4/h22,31-32H,9-21H2,1-8H3
InChIKeyAOUIYMUUQQSRDY-UHFFFAOYSA-N
XLogP6.08
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 56.08
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-dipropoxyethylphosphanyl)ethyl]-1-ethoxyethanamine?
The IUPAC name of N,N-bis[2-(1,1-dipropoxyethylphosphanyl)ethyl]-1-ethoxyethanamine (CID 87357464) is N,N-bis[2-(1,1-dipropoxyethylphosphanyl)ethyl]-1-ethoxyethanamine.
What is the SMILES notation for N,N-bis[2-(1,1-dipropoxyethylphosphanyl)ethyl]-1-ethoxyethanamine?
The canonical SMILES for N,N-bis[2-(1,1-dipropoxyethylphosphanyl)ethyl]-1-ethoxyethanamine is CCCOC(C)(OCCC)PCCN(CCPC(C)(OCCC)OCCC)C(C)OCC.
What is the InChIKey of N,N-bis[2-(1,1-dipropoxyethylphosphanyl)ethyl]-1-ethoxyethanamine?
The InChIKey is AOUIYMUUQQSRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H53NO5P2/c1-9-16-27-23(7,28-17-10-2)31-20-14-25(22(6)26-13-5)15-21-32-24(8,29-18-11-3)30-19-12-4/h22,31-32H,9-21H2,1-8H3.
What are the key properties of N,N-bis[2-(1,1-dipropoxyethylphosphanyl)ethyl]-1-ethoxyethanamine?
N,N-bis[2-(1,1-dipropoxyethylphosphanyl)ethyl]-1-ethoxyethanamine has a molecular weight of 497.64 g/mol, XLogP of 6.08, 23 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-dipropoxyethylphosphanyl)ethyl]-1-ethoxyethanamine is sourced from PubChem (CID 87357464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).