N,N-bis[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-2-ethoxyethanamine

C24H53NO5P2 — CID 87358172

IUPACN,N-bis[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-2-ethoxyethanamine
SMILESCCOCCN(CCPCC(OC(C)C)OC(C)C)CCPCC(OC(C)C)OC(C)C
InChIInChI=1S/C24H53NO5P2/c1-10-26-14-11-25(12-15-31-17-23(27-19(2)3)28-20(4)5)13-16-32-18-24(29-21(6)7)30-22(8)9/h19-24,31-32H,10-18H2,1-9H3
InChIKeyGBOWXFLTZMFGCS-UHFFFAOYSA-N
MW497.64 g/mol
LogP5.03
Rot. Bonds22

About N,N-bis[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-2-ethoxyethanamine

N,N-bis[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-2-ethoxyethanamine (PubChem CID 87358172) has the molecular formula C24H53NO5P2 and a molecular weight of 497.64 g/mol. Its IUPAC name is N,N-bis[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-2-ethoxyethanamine.

Molecular Properties

Compound NameN,N-bis[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-2-ethoxyethanamine
PubChem CID87358172
Molecular FormulaC24H53NO5P2
Molecular Weight497.64 g/mol
Exact Mass497.34
IUPAC NameN,N-bis[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-2-ethoxyethanamine
SMILESCCOCCN(CCPCC(OC(C)C)OC(C)C)CCPCC(OC(C)C)OC(C)C
InChIInChI=1S/C24H53NO5P2/c1-10-26-14-11-25(12-15-31-17-23(27-19(2)3)28-20(4)5)13-16-32-18-24(29-21(6)7)30-22(8)9/h19-24,31-32H,10-18H2,1-9H3
InChIKeyGBOWXFLTZMFGCS-UHFFFAOYSA-N
XLogP5.03
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 55.03
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'}

Analyze N,N-bis[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-2-ethoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-2-ethoxyethanamine?
The IUPAC name of N,N-bis[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-2-ethoxyethanamine (CID 87358172) is N,N-bis[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-2-ethoxyethanamine.
What is the SMILES notation for N,N-bis[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-2-ethoxyethanamine?
The canonical SMILES for N,N-bis[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-2-ethoxyethanamine is CCOCCN(CCPCC(OC(C)C)OC(C)C)CCPCC(OC(C)C)OC(C)C.
What is the InChIKey of N,N-bis[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-2-ethoxyethanamine?
The InChIKey is GBOWXFLTZMFGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H53NO5P2/c1-10-26-14-11-25(12-15-31-17-23(27-19(2)3)28-20(4)5)13-16-32-18-24(29-21(6)7)30-22(8)9/h19-24,31-32H,10-18H2,1-9H3.
What are the key properties of N,N-bis[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-2-ethoxyethanamine?
N,N-bis[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-2-ethoxyethanamine has a molecular weight of 497.64 g/mol, XLogP of 5.03, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-2-ethoxyethanamine is sourced from PubChem (CID 87358172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).