[3-(2-hydroxyethyl)cyclohexyl]-trimethylazanium

C11H24NO+ — CID 19377295

IUPAC[3-(2-hydroxyethyl)cyclohexyl]-trimethylazanium
SMILESC[N+](C)(C)C1CCCC(CCO)C1
InChIInChI=1S/C11H24NO/c1-12(2,3)11-6-4-5-10(9-11)7-8-13/h10-11,13H,4-9H2,1-3H3/q+1
InChIKeyVGBXDZOSYLZZSM-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.63
Rot. Bonds3

About [3-(2-hydroxyethyl)cyclohexyl]-trimethylazanium

[3-(2-hydroxyethyl)cyclohexyl]-trimethylazanium (PubChem CID 19377295) has the molecular formula C11H24NO+ and a molecular weight of 186.32 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)cyclohexyl]-trimethylazanium.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)cyclohexyl]-trimethylazanium
PubChem CID19377295
Molecular FormulaC11H24NO+
Molecular Weight186.32 g/mol
Exact Mass186.19
IUPAC Name[3-(2-hydroxyethyl)cyclohexyl]-trimethylazanium
SMILESC[N+](C)(C)C1CCCC(CCO)C1
InChIInChI=1S/C11H24NO/c1-12(2,3)11-6-4-5-10(9-11)7-8-13/h10-11,13H,4-9H2,1-3H3/q+1
InChIKeyVGBXDZOSYLZZSM-UHFFFAOYSA-N
XLogP1.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 [3-(2-hydroxyethyl)cyclohexyl]-trimethylazanium?
The IUPAC name of [3-(2-hydroxyethyl)cyclohexyl]-trimethylazanium (CID 19377295) is [3-(2-hydroxyethyl)cyclohexyl]-trimethylazanium.
What is the SMILES notation for [3-(2-hydroxyethyl)cyclohexyl]-trimethylazanium?
The canonical SMILES for [3-(2-hydroxyethyl)cyclohexyl]-trimethylazanium is C[N+](C)(C)C1CCCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)cyclohexyl]-trimethylazanium?
The InChIKey is VGBXDZOSYLZZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO/c1-12(2,3)11-6-4-5-10(9-11)7-8-13/h10-11,13H,4-9H2,1-3H3/q+1.
What are the key properties of [3-(2-hydroxyethyl)cyclohexyl]-trimethylazanium?
[3-(2-hydroxyethyl)cyclohexyl]-trimethylazanium has a molecular weight of 186.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)cyclohexyl]-trimethylazanium is sourced from PubChem (CID 19377295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).