amino-(2-cyanoethyl)-hydroxy-propoxyphosphanium

C6H14N2O2P+ — CID 54527550

IUPACamino-(2-cyanoethyl)-hydroxy-propoxyphosphanium
SMILESCCCO[P+](N)(O)CCC#N
InChIInChI=1S/C6H14N2O2P/c1-2-5-10-11(8,9)6-3-4-7/h9H,2-3,5-6,8H2,1H3/q+1
InChIKeyCIWCANXGMQDORX-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.04
Rot. Bonds5

About amino-(2-cyanoethyl)-hydroxy-propoxyphosphanium

amino-(2-cyanoethyl)-hydroxy-propoxyphosphanium (PubChem CID 54527550) has the molecular formula C6H14N2O2P+ and a molecular weight of 177.16 g/mol. Its IUPAC name is amino-(2-cyanoethyl)-hydroxy-propoxyphosphanium.

Molecular Properties

Compound Nameamino-(2-cyanoethyl)-hydroxy-propoxyphosphanium
PubChem CID54527550
Molecular FormulaC6H14N2O2P+
Molecular Weight177.16 g/mol
Exact Mass177.08
IUPAC Nameamino-(2-cyanoethyl)-hydroxy-propoxyphosphanium
SMILESCCCO[P+](N)(O)CCC#N
InChIInChI=1S/C6H14N2O2P/c1-2-5-10-11(8,9)6-3-4-7/h9H,2-3,5-6,8H2,1H3/q+1
InChIKeyCIWCANXGMQDORX-UHFFFAOYSA-N
XLogP1.04
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

2-Diethoxyphosphanylpropanenitrile
CID 14339537
2-Cyanoethoxy(methyl)phosphinous acid
CID 20665247
3-[Amino(methoxy)phosphanyl]oxypropanenitrile
CID 20723767
3-[Amino(2-cyanoethoxy)phosphanyl]oxypropanenitrile
CID 21889580
Amino-(2-cyanoethyl)-hydroxy-propan-2-yloxyphosphanium
CID 54459478
Acetonitrile;2-cyanoethoxyphosphonamidous acid
CID 87496735
3-[Amino-(2-cyanoethoxy)-di(propan-2-yl)-lambda5-phosphanyl]oxypropanenitrile
CID 88088308
2-cyanoethoxy-N-methylphosphonamidous acid
CID 89056446
3-[Ethoxy(methoxy)phosphanyl]propanenitrile
CID 89187959
2-Cyanoethoxy(ethyl)phosphinous acid
CID 90743049
Butan-2-yl(2-cyanoethoxy)phosphinous acid
CID 90918248
2-Cyanoethoxy(propan-2-yl)phosphinous acid
CID 90987807

Frequently Asked Questions

What is the IUPAC name of amino-(2-cyanoethyl)-hydroxy-propoxyphosphanium?
The IUPAC name of amino-(2-cyanoethyl)-hydroxy-propoxyphosphanium (CID 54527550) is amino-(2-cyanoethyl)-hydroxy-propoxyphosphanium.
What is the SMILES notation for amino-(2-cyanoethyl)-hydroxy-propoxyphosphanium?
The canonical SMILES for amino-(2-cyanoethyl)-hydroxy-propoxyphosphanium is CCCO[P+](N)(O)CCC#N.
What is the InChIKey of amino-(2-cyanoethyl)-hydroxy-propoxyphosphanium?
The InChIKey is CIWCANXGMQDORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2P/c1-2-5-10-11(8,9)6-3-4-7/h9H,2-3,5-6,8H2,1H3/q+1.
What are the key properties of amino-(2-cyanoethyl)-hydroxy-propoxyphosphanium?
amino-(2-cyanoethyl)-hydroxy-propoxyphosphanium has a molecular weight of 177.16 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2-cyanoethyl)-hydroxy-propoxyphosphanium is sourced from PubChem (CID 54527550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).