2-cyanoethyl(triethyl)phosphanium

C9H19NP+ — CID 4524375

IUPAC2-cyanoethyl(triethyl)phosphanium
SMILESCC[P+](CC)(CC)CCC#N
InChIInChI=1S/C9H19NP/c1-4-11(5-2,6-3)9-7-8-10/h4-7,9H2,1-3H3/q+1
InChIKeyGTVXYWZWKOPUDG-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.98
Rot. Bonds5

About 2-cyanoethyl(triethyl)phosphanium

2-cyanoethyl(triethyl)phosphanium (PubChem CID 4524375) has the molecular formula C9H19NP+ and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-cyanoethyl(triethyl)phosphanium.

Molecular Properties

Compound Name2-cyanoethyl(triethyl)phosphanium
PubChem CID4524375
Molecular FormulaC9H19NP+
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-cyanoethyl(triethyl)phosphanium
SMILESCC[P+](CC)(CC)CCC#N
InChIInChI=1S/C9H19NP/c1-4-11(5-2,6-3)9-7-8-10/h4-7,9H2,1-3H3/q+1
InChIKeyGTVXYWZWKOPUDG-UHFFFAOYSA-N
XLogP2.98
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyanopropyl(triethyl)phosphanium
CID 132518200
4-methylheptanedinitrile
CID 12673956
4,6-dimethyloctanenitrile
CID 142940400
butanenitrile;ethane
CID 91457061
alumane;butanenitrile
CID 174728323
21,27-dimethylnonacosanenitrile
CID 527379
4,6-dimethylheptanenitrile
CID 12673955
5-hydroxy-4-methylhexanenitrile
CID 130122658
4-hydroxy-5,5-dimethylhexanenitrile
CID 10654308
4-methylsulfanylpentanenitrile
CID 126971417
5-methyl-4-sulfanylhexanenitrile
CID 134606698
4-azidopentanenitrile
CID 20505518

Frequently Asked Questions

What is the IUPAC name of 2-cyanoethyl(triethyl)phosphanium?
The IUPAC name of 2-cyanoethyl(triethyl)phosphanium (CID 4524375) is 2-cyanoethyl(triethyl)phosphanium.
What is the SMILES notation for 2-cyanoethyl(triethyl)phosphanium?
The canonical SMILES for 2-cyanoethyl(triethyl)phosphanium is CC[P+](CC)(CC)CCC#N.
What is the InChIKey of 2-cyanoethyl(triethyl)phosphanium?
The InChIKey is GTVXYWZWKOPUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NP/c1-4-11(5-2,6-3)9-7-8-10/h4-7,9H2,1-3H3/q+1.
What are the key properties of 2-cyanoethyl(triethyl)phosphanium?
2-cyanoethyl(triethyl)phosphanium has a molecular weight of 172.23 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethyl(triethyl)phosphanium is sourced from PubChem (CID 4524375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).