azane;[dimethylamino(ethoxy)phosphoryl]formonitrile

C5H14N3O2P — CID 175744163

IUPACazane;[dimethylamino(ethoxy)phosphoryl]formonitrile
SMILESCCOP(=O)(C#N)N(C)C.N
InChIInChI=1S/C5H11N2O2P.H3N/c1-4-9-10(8,5-6)7(2)3;/h4H2,1-3H3;1H3
InChIKeyYCDIYLRMUMTIKY-UHFFFAOYSA-N
MW179.16 g/mol
LogP1.42
Rot. Bonds3

About azane;[dimethylamino(ethoxy)phosphoryl]formonitrile

azane;[dimethylamino(ethoxy)phosphoryl]formonitrile (PubChem CID 175744163) has the molecular formula C5H14N3O2P and a molecular weight of 179.16 g/mol. Its IUPAC name is azane;[dimethylamino(ethoxy)phosphoryl]formonitrile.

Molecular Properties

Compound Nameazane;[dimethylamino(ethoxy)phosphoryl]formonitrile
PubChem CID175744163
Molecular FormulaC5H14N3O2P
Molecular Weight179.16 g/mol
Exact Mass179.08
IUPAC Nameazane;[dimethylamino(ethoxy)phosphoryl]formonitrile
SMILESCCOP(=O)(C#N)N(C)C.N
InChIInChI=1S/C5H11N2O2P.H3N/c1-4-9-10(8,5-6)7(2)3;/h4H2,1-3H3;1H3
InChIKeyYCDIYLRMUMTIKY-UHFFFAOYSA-N
XLogP1.42
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 175738104
CID 175738104
[ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile
CID 86082466
[amino(ethoxy)phosphoryl]formonitrile
CID 15249953
2-diethoxyphosphoryl-2-(dimethylamino)acetonitrile
CID 12845692
diethoxyphosphorylformonitrile;methanediimine;hydrochloride
CID 155345866
1-diethoxyphosphoryl-1-methylhydrazine
CID 10773763
[[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile
CID 86082433
[[ethyl(methyl)amino]-hexoxyphosphoryl]formonitrile
CID 86082434
cyano(ethoxy)phosphinate;trimethylsulfanium
CID 10727206
[[methyl(propyl)amino]-octoxyphosphoryl]formonitrile
CID 170850595
dimethylamino(ethoxy)phosphinate;tetramethylazanium
CID 22756504
azane;bis(ethyl dihydrogen phosphate)
CID 174611775

Frequently Asked Questions

What is the IUPAC name of azane;[dimethylamino(ethoxy)phosphoryl]formonitrile?
The IUPAC name of azane;[dimethylamino(ethoxy)phosphoryl]formonitrile (CID 175744163) is azane;[dimethylamino(ethoxy)phosphoryl]formonitrile.
What is the SMILES notation for azane;[dimethylamino(ethoxy)phosphoryl]formonitrile?
The canonical SMILES for azane;[dimethylamino(ethoxy)phosphoryl]formonitrile is CCOP(=O)(C#N)N(C)C.N.
What is the InChIKey of azane;[dimethylamino(ethoxy)phosphoryl]formonitrile?
The InChIKey is YCDIYLRMUMTIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2O2P.H3N/c1-4-9-10(8,5-6)7(2)3;/h4H2,1-3H3;1H3.
What are the key properties of azane;[dimethylamino(ethoxy)phosphoryl]formonitrile?
azane;[dimethylamino(ethoxy)phosphoryl]formonitrile has a molecular weight of 179.16 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;[dimethylamino(ethoxy)phosphoryl]formonitrile is sourced from PubChem (CID 175744163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).