N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-methoxyethanamine

C17H39NO5P2 — CID 87358089

IUPACN,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-methoxyethanamine
SMILESCOCCN(CCPCCC(OC)OC)CCPCCC(OC)OC
InChIInChI=1S/C17H39NO5P2/c1-19-11-8-18(9-14-24-12-6-16(20-2)21-3)10-15-25-13-7-17(22-4)23-5/h16-17,24-25H,6-15H2,1-5H3
InChIKeyRPQJPIFSJROINT-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.31
Rot. Bonds19

About N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-methoxyethanamine

N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-methoxyethanamine (PubChem CID 87358089) has the molecular formula C17H39NO5P2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-methoxyethanamine
PubChem CID87358089
Molecular FormulaC17H39NO5P2
Molecular Weight399.45 g/mol
Exact Mass399.23
IUPAC NameN,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-methoxyethanamine
SMILESCOCCN(CCPCCC(OC)OC)CCPCCC(OC)OC
InChIInChI=1S/C17H39NO5P2/c1-19-11-8-18(9-14-24-12-6-16(20-2)21-3)10-15-25-13-7-17(22-4)23-5/h16-17,24-25H,6-15H2,1-5H3
InChIKeyRPQJPIFSJROINT-UHFFFAOYSA-N
XLogP2.31
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.31
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-dimethoxypropylphosphanyl)ethyl]-2-methoxyethanamine?
The IUPAC name of N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-methoxyethanamine (CID 87358089) is N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-methoxyethanamine.
What is the SMILES notation for N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-methoxyethanamine?
The canonical SMILES for N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-methoxyethanamine is COCCN(CCPCCC(OC)OC)CCPCCC(OC)OC.
What is the InChIKey of N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-methoxyethanamine?
The InChIKey is RPQJPIFSJROINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39NO5P2/c1-19-11-8-18(9-14-24-12-6-16(20-2)21-3)10-15-25-13-7-17(22-4)23-5/h16-17,24-25H,6-15H2,1-5H3.
What are the key properties of N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-methoxyethanamine?
N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-methoxyethanamine has a molecular weight of 399.45 g/mol, XLogP of 2.31, 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-(3,3-dimethoxypropylphosphanyl)ethyl]-2-methoxyethanamine is sourced from PubChem (CID 87358089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).