N,N-bis[2-(3,3-diethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine

C22H49NO5P2 — CID 87358565

IUPACN,N-bis[2-(3,3-diethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine
SMILESCCOCCN(CCPCCC(OCC)OCC)CCPCCC(OCC)OCC
InChIInChI=1S/C22H49NO5P2/c1-6-24-16-13-23(14-19-29-17-11-21(25-7-2)26-8-3)15-20-30-18-12-22(27-9-4)28-10-5/h21-22,29-30H,6-20H2,1-5H3
InChIKeyICGXFICIBRZTPD-UHFFFAOYSA-N
MW469.58 g/mol
LogP4.26
Rot. Bonds24

About N,N-bis[2-(3,3-diethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine

N,N-bis[2-(3,3-diethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine (PubChem CID 87358565) has the molecular formula C22H49NO5P2 and a molecular weight of 469.58 g/mol. Its IUPAC name is N,N-bis[2-(3,3-diethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine.

Molecular Properties

Compound NameN,N-bis[2-(3,3-diethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine
PubChem CID87358565
Molecular FormulaC22H49NO5P2
Molecular Weight469.58 g/mol
Exact Mass469.31
IUPAC NameN,N-bis[2-(3,3-diethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine
SMILESCCOCCN(CCPCCC(OCC)OCC)CCPCCC(OCC)OCC
InChIInChI=1S/C22H49NO5P2/c1-6-24-16-13-23(14-19-29-17-11-21(25-7-2)26-8-3)15-20-30-18-12-22(27-9-4)28-10-5/h21-22,29-30H,6-20H2,1-5H3
InChIKeyICGXFICIBRZTPD-UHFFFAOYSA-N
XLogP4.26
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.26
H-Bond Donors ≤ 50
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 N,N-bis[2-(3,3-diethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine?
The IUPAC name of N,N-bis[2-(3,3-diethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine (CID 87358565) is N,N-bis[2-(3,3-diethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine.
What is the SMILES notation for N,N-bis[2-(3,3-diethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine?
The canonical SMILES for N,N-bis[2-(3,3-diethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine is CCOCCN(CCPCCC(OCC)OCC)CCPCCC(OCC)OCC.
What is the InChIKey of N,N-bis[2-(3,3-diethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine?
The InChIKey is ICGXFICIBRZTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49NO5P2/c1-6-24-16-13-23(14-19-29-17-11-21(25-7-2)26-8-3)15-20-30-18-12-22(27-9-4)28-10-5/h21-22,29-30H,6-20H2,1-5H3.
What are the key properties of N,N-bis[2-(3,3-diethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine?
N,N-bis[2-(3,3-diethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine has a molecular weight of 469.58 g/mol, XLogP of 4.26, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(3,3-diethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine is sourced from PubChem (CID 87358565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).