2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid

C9H19N2O2P — CID 10751287

IUPAC2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid
SMILESCC(C)N(C(C)C)P(O)OCCC#N
InChIInChI=1S/C9H19N2O2P/c1-8(2)11(9(3)4)14(12)13-7-5-6-10/h8-9,12H,5,7H2,1-4H3
InChIKeyFINYOTLDIHYWPR-UHFFFAOYSA-N
MW218.24 g/mol
LogP2.25
Rot. Bonds6

About 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid

2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid (PubChem CID 10751287) has the molecular formula C9H19N2O2P and a molecular weight of 218.24 g/mol. Its IUPAC name is 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid.

Molecular Properties

Compound Name2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid
PubChem CID10751287
Molecular FormulaC9H19N2O2P
Molecular Weight218.24 g/mol
Exact Mass218.12
IUPAC Name2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid
SMILESCC(C)N(C(C)C)P(O)OCCC#N
InChIInChI=1S/C9H19N2O2P/c1-8(2)11(9(3)4)14(12)13-7-5-6-10/h8-9,12H,5,7H2,1-4H3
InChIKeyFINYOTLDIHYWPR-UHFFFAOYSA-N
XLogP2.25
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Cyanoethyl tetraisopropylphosphorodiamidite
CID 128153
2-Cyanoethyl N,N-diisopropylchlorophosphoramidite
CID 2734844
Bis(2-cyanoethyl) N,N-Diisopropylphosphoramidite
CID 3626483
3'-O-ethyl-N,N-diisopropylphosphoramidite
CID 195451
Phosphorodiamidic acid, tetrakis(1-methylethyl)-, 2-cyanoethyl ester
CID 10495714
3-[[Di(propan-2-yl)amino]-[(2-methylpropan-2-yl)oxy]phosphanyl]oxypropanenitrile
CID 10967707
2-Cyanoethylmethyldiisopropylphosphoramidite
CID 11117914
3-[Di(propan-2-yl)amino]phosphanyloxypropanenitrile
CID 18624441
3-[Chloro-[di(propan-2-yl)amino]phosphanyl]peroxypropanenitrile
CID 18626892
3-[[Di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile
CID 20732891
3-[Bis[di(propan-2-yl)amino]-dihydroxy-lambda5-phosphanyl]oxypropanenitrile
CID 90918052
Propyl N,N-diisopropylphosphoramidocyanidate
CID 583940

Frequently Asked Questions

What is the IUPAC name of 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid?
The IUPAC name of 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid (CID 10751287) is 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid.
What is the SMILES notation for 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid?
The canonical SMILES for 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid is CC(C)N(C(C)C)P(O)OCCC#N.
What is the InChIKey of 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid?
The InChIKey is FINYOTLDIHYWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O2P/c1-8(2)11(9(3)4)14(12)13-7-5-6-10/h8-9,12H,5,7H2,1-4H3.
What are the key properties of 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid?
2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid has a molecular weight of 218.24 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid is sourced from PubChem (CID 10751287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).