(2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl)-trimethylazanium

C13H26NO+ — CID 18714367

IUPAC(2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl)-trimethylazanium
SMILESC=C(C)C1CCC(C)(O)C([N+](C)(C)C)C1
InChIInChI=1S/C13H26NO/c1-10(2)11-7-8-13(3,15)12(9-11)14(4,5)6/h11-12,15H,1,7-9H2,2-6H3/q+1
InChIKeyWFWPNQQPASQUSI-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.19
Rot. Bonds2

About (2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl)-trimethylazanium

(2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl)-trimethylazanium (PubChem CID 18714367) has the molecular formula C13H26NO+ and a molecular weight of 212.36 g/mol. Its IUPAC name is (2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl)-trimethylazanium.

Molecular Properties

Compound Name(2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl)-trimethylazanium
PubChem CID18714367
Molecular FormulaC13H26NO+
Molecular Weight212.36 g/mol
Exact Mass212.20
IUPAC Name(2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl)-trimethylazanium
SMILESC=C(C)C1CCC(C)(O)C([N+](C)(C)C)C1
InChIInChI=1S/C13H26NO/c1-10(2)11-7-8-13(3,15)12(9-11)14(4,5)6/h11-12,15H,1,7-9H2,2-6H3/q+1
InChIKeyWFWPNQQPASQUSI-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl)-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl)-trimethylazanium?
The IUPAC name of (2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl)-trimethylazanium (CID 18714367) is (2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl)-trimethylazanium.
What is the SMILES notation for (2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl)-trimethylazanium?
The canonical SMILES for (2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl)-trimethylazanium is C=C(C)C1CCC(C)(O)C([N+](C)(C)C)C1.
What is the InChIKey of (2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl)-trimethylazanium?
The InChIKey is WFWPNQQPASQUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26NO/c1-10(2)11-7-8-13(3,15)12(9-11)14(4,5)6/h11-12,15H,1,7-9H2,2-6H3/q+1.
What are the key properties of (2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl)-trimethylazanium?
(2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl)-trimethylazanium has a molecular weight of 212.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl)-trimethylazanium is sourced from PubChem (CID 18714367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).