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

C18H41NO5P2 — CID 24764942

IUPACN,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine
SMILESCCOCCN(CCPCCC(OC)OC)CCPCCC(OC)OC
InChIInChI=1S/C18H41NO5P2/c1-6-24-12-9-19(10-15-25-13-7-17(20-2)21-3)11-16-26-14-8-18(22-4)23-5/h17-18,25-26H,6-16H2,1-5H3
InChIKeyJDBBUKUREWGGHM-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.70
Rot. Bonds20

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

N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine (PubChem CID 24764942) has the molecular formula C18H41NO5P2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine.

Molecular Properties

Compound NameN,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine
PubChem CID24764942
Molecular FormulaC18H41NO5P2
Molecular Weight413.48 g/mol
Exact Mass413.25
IUPAC NameN,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine
SMILESCCOCCN(CCPCCC(OC)OC)CCPCCC(OC)OC
InChIInChI=1S/C18H41NO5P2/c1-6-24-12-9-19(10-15-25-13-7-17(20-2)21-3)11-16-26-14-8-18(22-4)23-5/h17-18,25-26H,6-16H2,1-5H3
InChIKeyJDBBUKUREWGGHM-UHFFFAOYSA-N
XLogP2.70
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.70
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-ethoxyethanamine?
The IUPAC name of N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine (CID 24764942) is N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine.
What is the SMILES notation for N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine?
The canonical SMILES for N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine is CCOCCN(CCPCCC(OC)OC)CCPCCC(OC)OC.
What is the InChIKey of N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine?
The InChIKey is JDBBUKUREWGGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41NO5P2/c1-6-24-12-9-19(10-15-25-13-7-17(20-2)21-3)11-16-26-14-8-18(22-4)23-5/h17-18,25-26H,6-16H2,1-5H3.
What are the key properties of N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine?
N,N-bis[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-ethoxyethanamine has a molecular weight of 413.48 g/mol, XLogP of 2.70, 20 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-ethoxyethanamine is sourced from PubChem (CID 24764942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).