1-ethyl-3-propylpyrrolidin-1-ium cyanide

C10H20N2 — CID 171569840

IUPAC1-ethyl-3-propylpyrrolidin-1-ium cyanide
SMILESCCCC1CC[NH+](CC)C1.[C-]#N
InChIInChI=1S/C9H19N.CN/c1-3-5-9-6-7-10(4-2)8-9;1-2/h9H,3-8H2,1-2H3;/q;-1/p+1
InChIKeyXHDHROLZELJBSJ-UHFFFAOYSA-O
MW168.28 g/mol
LogP0.81
Rot. Bonds3

About 1-ethyl-3-propylpyrrolidin-1-ium cyanide

1-ethyl-3-propylpyrrolidin-1-ium cyanide (PubChem CID 171569840) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-ethyl-3-propylpyrrolidin-1-ium cyanide.

Molecular Properties

Compound Name1-ethyl-3-propylpyrrolidin-1-ium cyanide
PubChem CID171569840
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-ethyl-3-propylpyrrolidin-1-ium cyanide
SMILESCCCC1CC[NH+](CC)C1.[C-]#N
InChIInChI=1S/C9H19N.CN/c1-3-5-9-6-7-10(4-2)8-9;1-2/h9H,3-8H2,1-2H3;/q;-1/p+1
InChIKeyXHDHROLZELJBSJ-UHFFFAOYSA-O
XLogP0.81
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-propyl-1-undecylpyrrolidin-1-ium cyanide
CID 171571155
1-dodecyl-3-propylpyrrolidin-1-ium cyanide
CID 171571319
butane;bis(1,3-diethylpyrrolidin-1-ium);dihydroxide
CID 159009313
3-butyl-1-pentylpyrrolidin-1-ium fluoride
CID 171570680
3-butyl-1-propylpiperidin-1-ium cyanide
CID 171570482
1,3-di(tridecyl)pyrrolidin-1-ium bromide
CID 162511807
1,3-di(nonadecyl)pyrrolidin-1-ium bromide
CID 162511830
4-butyl-1-octylpiperidin-1-ium cyanide
CID 171571334
3-butyl-1-octylpyrrolidin-1-ium fluoride
CID 171571275
1,3-di(tetradecyl)pyrrolidin-1-ium chloride
CID 162511911
3-butyl-1-undecylpyrrolidin-1-ium chloride
CID 171571284
1-hexyl-3-propylpiperidin-1-ium chloride
CID 171571494

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propylpyrrolidin-1-ium cyanide?
The IUPAC name of 1-ethyl-3-propylpyrrolidin-1-ium cyanide (CID 171569840) is 1-ethyl-3-propylpyrrolidin-1-ium cyanide.
What is the SMILES notation for 1-ethyl-3-propylpyrrolidin-1-ium cyanide?
The canonical SMILES for 1-ethyl-3-propylpyrrolidin-1-ium cyanide is CCCC1CC[NH+](CC)C1.[C-]#N.
What is the InChIKey of 1-ethyl-3-propylpyrrolidin-1-ium cyanide?
The InChIKey is XHDHROLZELJBSJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19N.CN/c1-3-5-9-6-7-10(4-2)8-9;1-2/h9H,3-8H2,1-2H3;/q;-1/p+1.
What are the key properties of 1-ethyl-3-propylpyrrolidin-1-ium cyanide?
1-ethyl-3-propylpyrrolidin-1-ium cyanide has a molecular weight of 168.28 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propylpyrrolidin-1-ium cyanide is sourced from PubChem (CID 171569840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).