2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium

C9H20N2O3P+ — CID 57227834

IUPAC2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium
SMILESCC(C)N(C(C)C)[P+](O)(O)OCCC#N
InChIInChI=1S/C9H20N2O3P/c1-8(2)11(9(3)4)15(12,13)14-7-5-6-10/h8-9,12-13H,5,7H2,1-4H3/q+1
InChIKeyOMVXTPWFTQUCEL-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.70
Rot. Bonds6

About 2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium

2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium (PubChem CID 57227834) has the molecular formula C9H20N2O3P+ and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium.

Molecular Properties

Compound Name2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium
PubChem CID57227834
Molecular FormulaC9H20N2O3P+
Molecular Weight235.24 g/mol
Exact Mass235.12
IUPAC Name2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium
SMILESCC(C)N(C(C)C)[P+](O)(O)OCCC#N
InChIInChI=1S/C9H20N2O3P/c1-8(2)11(9(3)4)15(12,13)14-7-5-6-10/h8-9,12-13H,5,7H2,1-4H3/q+1
InChIKeyOMVXTPWFTQUCEL-UHFFFAOYSA-N
XLogP1.70
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-bis[di(propan-2-yl)amino]-hydroxyphosphanium
CID 87077983
2-cyanoethoxy-hydroxy-dioxidophosphanium
CID 86622672
[8-cyano-6-(icosanoylamino)octoxy]-[di(propan-2-yl)amino]-dihydroxyphosphanium
CID 178170853
[2-cyanoethyl-[di(propan-2-yl)amino]amino]-[di(propan-2-yl)amino]-dihydroxyphosphanium
CID 87733562
3-(1-bromoethoxy)propanenitrile
CID 151174182
3-[[di(propan-2-yl)amino]-hydroxy-di(propan-2-yl)-λ5-phosphanyl]oxypropanenitrile
CID 87379466
3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile
CID 146204554
3-[1-(2-cyanoethoxy)ethoxy]propanenitrile;3-methoxypropanenitrile
CID 86745402
acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane
CID 170710647
3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphoryl]oxypropanenitrile
CID 11346724
N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid
CID 54224854
[(1S)-3-amino-1-(2-cyanoethoxy)-1,2-dihydroxypropyl]-[di(propan-2-yl)amino]-oxophosphanium
CID 172766904

Frequently Asked Questions

What is the IUPAC name of 2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium?
The IUPAC name of 2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium (CID 57227834) is 2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium.
What is the SMILES notation for 2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium?
The canonical SMILES for 2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium is CC(C)N(C(C)C)[P+](O)(O)OCCC#N.
What is the InChIKey of 2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium?
The InChIKey is OMVXTPWFTQUCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3P/c1-8(2)11(9(3)4)15(12,13)14-7-5-6-10/h8-9,12-13H,5,7H2,1-4H3/q+1.
What are the key properties of 2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium?
2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium has a molecular weight of 235.24 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium is sourced from PubChem (CID 57227834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).