1-dipropylphosphoryl-1-ethoxy-N,N-dimethylmethanamine

C11H26NO2P — CID 14954183

IUPAC1-dipropylphosphoryl-1-ethoxy-N,N-dimethylmethanamine
SMILESCCCP(=O)(CCC)C(OCC)N(C)C
InChIInChI=1S/C11H26NO2P/c1-6-9-15(13,10-7-2)11(12(4)5)14-8-3/h11H,6-10H2,1-5H3
InChIKeyHYUBUZMUDISYEC-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.05
Rot. Bonds8

About 1-dipropylphosphoryl-1-ethoxy-N,N-dimethylmethanamine

1-dipropylphosphoryl-1-ethoxy-N,N-dimethylmethanamine (PubChem CID 14954183) has the molecular formula C11H26NO2P and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-dipropylphosphoryl-1-ethoxy-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-dipropylphosphoryl-1-ethoxy-N,N-dimethylmethanamine
PubChem CID14954183
Molecular FormulaC11H26NO2P
Molecular Weight235.31 g/mol
Exact Mass235.17
IUPAC Name1-dipropylphosphoryl-1-ethoxy-N,N-dimethylmethanamine
SMILESCCCP(=O)(CCC)C(OCC)N(C)C
InChIInChI=1S/C11H26NO2P/c1-6-9-15(13,10-7-2)11(12(4)5)14-8-3/h11H,6-10H2,1-5H3
InChIKeyHYUBUZMUDISYEC-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-dipropylphosphoryl-1-ethoxy-N,N-dimethylmethanamine?
The IUPAC name of 1-dipropylphosphoryl-1-ethoxy-N,N-dimethylmethanamine (CID 14954183) is 1-dipropylphosphoryl-1-ethoxy-N,N-dimethylmethanamine.
What is the SMILES notation for 1-dipropylphosphoryl-1-ethoxy-N,N-dimethylmethanamine?
The canonical SMILES for 1-dipropylphosphoryl-1-ethoxy-N,N-dimethylmethanamine is CCCP(=O)(CCC)C(OCC)N(C)C.
What is the InChIKey of 1-dipropylphosphoryl-1-ethoxy-N,N-dimethylmethanamine?
The InChIKey is HYUBUZMUDISYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO2P/c1-6-9-15(13,10-7-2)11(12(4)5)14-8-3/h11H,6-10H2,1-5H3.
What are the key properties of 1-dipropylphosphoryl-1-ethoxy-N,N-dimethylmethanamine?
1-dipropylphosphoryl-1-ethoxy-N,N-dimethylmethanamine has a molecular weight of 235.31 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dipropylphosphoryl-1-ethoxy-N,N-dimethylmethanamine is sourced from PubChem (CID 14954183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).