N-ethylpropanenitrilium

C5H10N+ — CID 123189018

IUPACN-ethylpropanenitrilium
SMILESCCC#[N+]CC
InChIInChI=1S/C5H10N/c1-3-5-6-4-2/h3-4H2,1-2H3/q+1
InChIKeyMZHXBLLDZGVTRZ-UHFFFAOYSA-N
MW84.14 g/mol
LogP1.75
Rot. Bonds

About N-ethylpropanenitrilium

N-ethylpropanenitrilium (PubChem CID 123189018) has the molecular formula C5H10N+ and a molecular weight of 84.14 g/mol. Its IUPAC name is N-ethylpropanenitrilium.

Molecular Properties

Compound NameN-ethylpropanenitrilium
PubChem CID123189018
Molecular FormulaC5H10N+
Molecular Weight84.14 g/mol
Exact Mass84.08
IUPAC NameN-ethylpropanenitrilium
SMILESCCC#[N+]CC
InChIInChI=1S/C5H10N/c1-3-5-6-4-2/h3-4H2,1-2H3/q+1
InChIKeyMZHXBLLDZGVTRZ-UHFFFAOYSA-N
XLogP1.75
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.14
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of N-ethylpropanenitrilium?
The IUPAC name of N-ethylpropanenitrilium (CID 123189018) is N-ethylpropanenitrilium.
What is the SMILES notation for N-ethylpropanenitrilium?
The canonical SMILES for N-ethylpropanenitrilium is CCC#[N+]CC.
What is the InChIKey of N-ethylpropanenitrilium?
The InChIKey is MZHXBLLDZGVTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N/c1-3-5-6-4-2/h3-4H2,1-2H3/q+1.
What are the key properties of N-ethylpropanenitrilium?
N-ethylpropanenitrilium has a molecular weight of 84.14 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpropanenitrilium is sourced from PubChem (CID 123189018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).