[ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile

C8H17N2O2P — CID 86082466

IUPAC[ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile
SMILESCCOP(=O)(C#N)N(CC)C(C)C
InChIInChI=1S/C8H17N2O2P/c1-5-10(8(3)4)13(11,7-9)12-6-2/h8H,5-6H2,1-4H3
InChIKeyRFPUFBSDROXQJC-UHFFFAOYSA-N
MW204.21 g/mol
LogP2.43
Rot. Bonds5

About [ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile

[ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile (PubChem CID 86082466) has the molecular formula C8H17N2O2P and a molecular weight of 204.21 g/mol. Its IUPAC name is [ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile.

Molecular Properties

Compound Name[ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile
PubChem CID86082466
Molecular FormulaC8H17N2O2P
Molecular Weight204.21 g/mol
Exact Mass204.10
IUPAC Name[ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile
SMILESCCOP(=O)(C#N)N(CC)C(C)C
InChIInChI=1S/C8H17N2O2P/c1-5-10(8(3)4)13(11,7-9)12-6-2/h8H,5-6H2,1-4H3
InChIKeyRFPUFBSDROXQJC-UHFFFAOYSA-N
XLogP2.43
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 175738104
CID 175738104
azane;[dimethylamino(ethoxy)phosphoryl]formonitrile
CID 175744163
[3,3-dimethylbutan-2-yloxy-[propan-2-yl(propyl)amino]phosphoryl]formonitrile
CID 170850650
[[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile
CID 583930
[2,4-dimethylpentan-3-yloxy-(dipropylamino)phosphoryl]formonitrile
CID 170850706
[amino(ethoxy)phosphoryl]formonitrile
CID 15249953
2-diethoxyphosphoryl-3-methylbutanenitrile
CID 11031342
2-diethoxyphosphoryl-2-(dimethylamino)acetonitrile
CID 12845692
diethoxyphosphorylformonitrile;methanediimine;hydrochloride
CID 155345866
[[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile
CID 86082433
2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile
CID 146474105
[[ethyl(methyl)amino]-hexoxyphosphoryl]formonitrile
CID 86082434

Frequently Asked Questions

What is the IUPAC name of [ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile?
The IUPAC name of [ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile (CID 86082466) is [ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile.
What is the SMILES notation for [ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile?
The canonical SMILES for [ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile is CCOP(=O)(C#N)N(CC)C(C)C.
What is the InChIKey of [ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile?
The InChIKey is RFPUFBSDROXQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2O2P/c1-5-10(8(3)4)13(11,7-9)12-6-2/h8H,5-6H2,1-4H3.
What are the key properties of [ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile?
[ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile has a molecular weight of 204.21 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile is sourced from PubChem (CID 86082466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).