3-cyanopentan-3-ylphosphanium

C6H13NP+ — CID 173400189

IUPAC3-cyanopentan-3-ylphosphanium
SMILESCCC([PH3+])(C#N)CC
InChIInChI=1S/C6H12NP/c1-3-6(8,4-2)5-7/h3-4,8H2,1-2H3/p+1
InChIKeyUEFQBTMUGYCXHN-UHFFFAOYSA-O
MW130.15 g/mol
LogP1.68
Rot. Bonds2

About 3-cyanopentan-3-ylphosphanium

3-cyanopentan-3-ylphosphanium (PubChem CID 173400189) has the molecular formula C6H13NP+ and a molecular weight of 130.15 g/mol. Its IUPAC name is 3-cyanopentan-3-ylphosphanium.

Molecular Properties

Compound Name3-cyanopentan-3-ylphosphanium
PubChem CID173400189
Molecular FormulaC6H13NP+
Molecular Weight130.15 g/mol
Exact Mass130.08
IUPAC Name3-cyanopentan-3-ylphosphanium
SMILESCCC([PH3+])(C#N)CC
InChIInChI=1S/C6H12NP/c1-3-6(8,4-2)5-7/h3-4,8H2,1-2H3/p+1
InChIKeyUEFQBTMUGYCXHN-UHFFFAOYSA-O
XLogP1.68
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.68
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

2,2-diaminobutanenitrile
CID 141036920
ethane;2-ethyl-2-methylbutanenitrile
CID 162762947
2,2-dimethylbutanenitrile;ethane
CID 144998313
2-amino-2-(hydroxymethyl)butanenitrile
CID 122662800
2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile
CID 159256086
2-ethyl-2-(methylamino)butanenitrile
CID 43115036
2-chloro-2-(trichloromethyl)butanenitrile
CID 139961947
3-bromo-3-ethyl-2-hydroxy-2-(hydroxymethyl)pentanenitrile
CID 24976134
butane-1,1,2,2-tetracarbonitrile
CID 13148942
2,2-dimethylbutanenitrile;silicic acid
CID 175510249
2-ethyl-2-methylpent-4-ynenitrile
CID 130513645
(2S)-2-hydroxy-2-(trifluoromethyl)butanenitrile
CID 97290854

Frequently Asked Questions

What is the IUPAC name of 3-cyanopentan-3-ylphosphanium?
The IUPAC name of 3-cyanopentan-3-ylphosphanium (CID 173400189) is 3-cyanopentan-3-ylphosphanium.
What is the SMILES notation for 3-cyanopentan-3-ylphosphanium?
The canonical SMILES for 3-cyanopentan-3-ylphosphanium is CCC([PH3+])(C#N)CC.
What is the InChIKey of 3-cyanopentan-3-ylphosphanium?
The InChIKey is UEFQBTMUGYCXHN-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12NP/c1-3-6(8,4-2)5-7/h3-4,8H2,1-2H3/p+1.
What are the key properties of 3-cyanopentan-3-ylphosphanium?
3-cyanopentan-3-ylphosphanium has a molecular weight of 130.15 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyanopentan-3-ylphosphanium is sourced from PubChem (CID 173400189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).