2-[ethoxy(ethylamino)phosphoryl]acetonitrile

C6H13N2O2P — CID 163668716

IUPAC2-[ethoxy(ethylamino)phosphoryl]acetonitrile
SMILESCCNP(=O)(CC#N)OCC
InChIInChI=1S/C6H13N2O2P/c1-3-8-11(9,6-5-7)10-4-2/h3-4,6H2,1-2H3,(H,8,9)
InChIKeyJARFREAUWMKNOA-UHFFFAOYSA-N
MW176.16 g/mol
LogP1.35
Rot. Bonds5

About 2-[ethoxy(ethylamino)phosphoryl]acetonitrile

2-[ethoxy(ethylamino)phosphoryl]acetonitrile (PubChem CID 163668716) has the molecular formula C6H13N2O2P and a molecular weight of 176.16 g/mol. Its IUPAC name is 2-[ethoxy(ethylamino)phosphoryl]acetonitrile.

Molecular Properties

Compound Name2-[ethoxy(ethylamino)phosphoryl]acetonitrile
PubChem CID163668716
Molecular FormulaC6H13N2O2P
Molecular Weight176.16 g/mol
Exact Mass176.07
IUPAC Name2-[ethoxy(ethylamino)phosphoryl]acetonitrile
SMILESCCNP(=O)(CC#N)OCC
InChIInChI=1S/C6H13N2O2P/c1-3-8-11(9,6-5-7)10-4-2/h3-4,6H2,1-2H3,(H,8,9)
InChIKeyJARFREAUWMKNOA-UHFFFAOYSA-N
XLogP1.35
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

potassium cyanomethyl(ethoxy)phosphinate
CID 134863718
N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine
CID 88863403
N-[ethoxy(ethyl)phosphoryl]methanamine
CID 165354105
2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile
CID 146474105
N-[ethoxy(ethylsulfanyloxy)phosphoryl]ethanamine
CID 173285572
2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol
CID 23534642
cyano(ethoxy)phosphinate;trimethylsulfanium
CID 10727206
2-diethoxyphosphoryl-3-methylbutanenitrile
CID 11031342
2-cyanoethyl diethyl phosphate
CID 54310763
3,3-bis(diethoxyphosphoryl)propanenitrile
CID 15162590
[amino(ethoxy)phosphoryl]formonitrile
CID 15249953
2-chloro-N-diethoxyphosphorylethanamine
CID 11127656

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(ethylamino)phosphoryl]acetonitrile?
The IUPAC name of 2-[ethoxy(ethylamino)phosphoryl]acetonitrile (CID 163668716) is 2-[ethoxy(ethylamino)phosphoryl]acetonitrile.
What is the SMILES notation for 2-[ethoxy(ethylamino)phosphoryl]acetonitrile?
The canonical SMILES for 2-[ethoxy(ethylamino)phosphoryl]acetonitrile is CCNP(=O)(CC#N)OCC.
What is the InChIKey of 2-[ethoxy(ethylamino)phosphoryl]acetonitrile?
The InChIKey is JARFREAUWMKNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2O2P/c1-3-8-11(9,6-5-7)10-4-2/h3-4,6H2,1-2H3,(H,8,9).
What are the key properties of 2-[ethoxy(ethylamino)phosphoryl]acetonitrile?
2-[ethoxy(ethylamino)phosphoryl]acetonitrile has a molecular weight of 176.16 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(ethylamino)phosphoryl]acetonitrile is sourced from PubChem (CID 163668716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).