amino-(2-cyanoethyl)-hydroxy-propan-2-yloxyphosphanium

C6H14N2O2P+ — CID 54459478

IUPACamino-(2-cyanoethyl)-hydroxy-propan-2-yloxyphosphanium
SMILESCC(C)O[P+](N)(O)CCC#N
InChIInChI=1S/C6H14N2O2P/c1-6(2)10-11(8,9)5-3-4-7/h6,9H,3,5,8H2,1-2H3/q+1
InChIKeyNOBSQGNFQMWJGK-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.04
Rot. Bonds4

About amino-(2-cyanoethyl)-hydroxy-propan-2-yloxyphosphanium

amino-(2-cyanoethyl)-hydroxy-propan-2-yloxyphosphanium (PubChem CID 54459478) has the molecular formula C6H14N2O2P+ and a molecular weight of 177.16 g/mol. Its IUPAC name is amino-(2-cyanoethyl)-hydroxy-propan-2-yloxyphosphanium.

Molecular Properties

Compound Nameamino-(2-cyanoethyl)-hydroxy-propan-2-yloxyphosphanium
PubChem CID54459478
Molecular FormulaC6H14N2O2P+
Molecular Weight177.16 g/mol
Exact Mass177.08
IUPAC Nameamino-(2-cyanoethyl)-hydroxy-propan-2-yloxyphosphanium
SMILESCC(C)O[P+](N)(O)CCC#N
InChIInChI=1S/C6H14N2O2P/c1-6(2)10-11(8,9)5-3-4-7/h6,9H,3,5,8H2,1-2H3/q+1
InChIKeyNOBSQGNFQMWJGK-UHFFFAOYSA-N
XLogP1.04
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino-(2-cyanoethyl)-hydroxy-propan-2-yloxyphosphanium?
The IUPAC name of amino-(2-cyanoethyl)-hydroxy-propan-2-yloxyphosphanium (CID 54459478) is amino-(2-cyanoethyl)-hydroxy-propan-2-yloxyphosphanium.
What is the SMILES notation for amino-(2-cyanoethyl)-hydroxy-propan-2-yloxyphosphanium?
The canonical SMILES for amino-(2-cyanoethyl)-hydroxy-propan-2-yloxyphosphanium is CC(C)O[P+](N)(O)CCC#N.
What is the InChIKey of amino-(2-cyanoethyl)-hydroxy-propan-2-yloxyphosphanium?
The InChIKey is NOBSQGNFQMWJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2P/c1-6(2)10-11(8,9)5-3-4-7/h6,9H,3,5,8H2,1-2H3/q+1.
What are the key properties of amino-(2-cyanoethyl)-hydroxy-propan-2-yloxyphosphanium?
amino-(2-cyanoethyl)-hydroxy-propan-2-yloxyphosphanium has a molecular weight of 177.16 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2-cyanoethyl)-hydroxy-propan-2-yloxyphosphanium is sourced from PubChem (CID 54459478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).