(1-cyclohexyl-2-phenylethyl)-triethylazanium

C20H34N+ — CID 69137701

IUPAC(1-cyclohexyl-2-phenylethyl)-triethylazanium
SMILESCC[N+](CC)(CC)C(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C20H34N/c1-4-21(5-2,6-3)20(19-15-11-8-12-16-19)17-18-13-9-7-10-14-18/h7,9-10,13-14,19-20H,4-6,8,11-12,15-17H2,1-3H3/q+1
InChIKeyHIYLFZHRYZXLAQ-UHFFFAOYSA-N
MW288.50 g/mol
LogP5.05
Rot. Bonds7

About (1-cyclohexyl-2-phenylethyl)-triethylazanium

(1-cyclohexyl-2-phenylethyl)-triethylazanium (PubChem CID 69137701) has the molecular formula C20H34N+ and a molecular weight of 288.50 g/mol. Its IUPAC name is (1-cyclohexyl-2-phenylethyl)-triethylazanium.

Molecular Properties

Compound Name(1-cyclohexyl-2-phenylethyl)-triethylazanium
PubChem CID69137701
Molecular FormulaC20H34N+
Molecular Weight288.50 g/mol
Exact Mass288.27
IUPAC Name(1-cyclohexyl-2-phenylethyl)-triethylazanium
SMILESCC[N+](CC)(CC)C(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C20H34N/c1-4-21(5-2,6-3)20(19-15-11-8-12-16-19)17-18-13-9-7-10-14-18/h7,9-10,13-14,19-20H,4-6,8,11-12,15-17H2,1-3H3/q+1
InChIKeyHIYLFZHRYZXLAQ-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.50
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2-phenylethyl)-triethylazanium?
The IUPAC name of (1-cyclohexyl-2-phenylethyl)-triethylazanium (CID 69137701) is (1-cyclohexyl-2-phenylethyl)-triethylazanium.
What is the SMILES notation for (1-cyclohexyl-2-phenylethyl)-triethylazanium?
The canonical SMILES for (1-cyclohexyl-2-phenylethyl)-triethylazanium is CC[N+](CC)(CC)C(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-2-phenylethyl)-triethylazanium?
The InChIKey is HIYLFZHRYZXLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N/c1-4-21(5-2,6-3)20(19-15-11-8-12-16-19)17-18-13-9-7-10-14-18/h7,9-10,13-14,19-20H,4-6,8,11-12,15-17H2,1-3H3/q+1.
What are the key properties of (1-cyclohexyl-2-phenylethyl)-triethylazanium?
(1-cyclohexyl-2-phenylethyl)-triethylazanium has a molecular weight of 288.50 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2-phenylethyl)-triethylazanium is sourced from PubChem (CID 69137701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).