(4-ethylphenyl)-dimethylazanium

C10H16N+ — CID 159170698

IUPAC(4-ethylphenyl)-dimethylazanium
SMILESCCc1ccc([NH+](C)C)cc1
InChIInChI=1S/C10H15N/c1-4-9-5-7-10(8-6-9)11(2)3/h5-8H,4H2,1-3H3/p+1
InChIKeyKLQNCSLBKKYPET-UHFFFAOYSA-O
MW150.24 g/mol
LogP1.02
Rot. Bonds2

About (4-ethylphenyl)-dimethylazanium

(4-ethylphenyl)-dimethylazanium (PubChem CID 159170698) has the molecular formula C10H16N+ and a molecular weight of 150.24 g/mol. Its IUPAC name is (4-ethylphenyl)-dimethylazanium.

Molecular Properties

Compound Name(4-ethylphenyl)-dimethylazanium
PubChem CID159170698
Molecular FormulaC10H16N+
Molecular Weight150.24 g/mol
Exact Mass150.13
IUPAC Name(4-ethylphenyl)-dimethylazanium
SMILESCCc1ccc([NH+](C)C)cc1
InChIInChI=1S/C10H15N/c1-4-9-5-7-10(8-6-9)11(2)3/h5-8H,4H2,1-3H3/p+1
InChIKeyKLQNCSLBKKYPET-UHFFFAOYSA-O
XLogP1.02
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-dimethylazanium?
The IUPAC name of (4-ethylphenyl)-dimethylazanium (CID 159170698) is (4-ethylphenyl)-dimethylazanium.
What is the SMILES notation for (4-ethylphenyl)-dimethylazanium?
The canonical SMILES for (4-ethylphenyl)-dimethylazanium is CCc1ccc([NH+](C)C)cc1.
What is the InChIKey of (4-ethylphenyl)-dimethylazanium?
The InChIKey is KLQNCSLBKKYPET-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15N/c1-4-9-5-7-10(8-6-9)11(2)3/h5-8H,4H2,1-3H3/p+1.
What are the key properties of (4-ethylphenyl)-dimethylazanium?
(4-ethylphenyl)-dimethylazanium has a molecular weight of 150.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-dimethylazanium is sourced from PubChem (CID 159170698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).