benzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium

C19H32NO+ — CID 54447227

IUPACbenzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium
SMILESCC(C)C1CCC(C)(O)C([N+](C)(C)Cc2ccccc2)C1
InChIInChI=1S/C19H32NO/c1-15(2)17-11-12-19(3,21)18(13-17)20(4,5)14-16-9-7-6-8-10-16/h6-10,15,17-18,21H,11-14H2,1-5H3/q+1
InChIKeyWSJKXBFMWUXFSA-UHFFFAOYSA-N
MW290.47 g/mol
LogP3.84
Rot. Bonds4

About benzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium

benzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium (PubChem CID 54447227) has the molecular formula C19H32NO+ and a molecular weight of 290.47 g/mol. Its IUPAC name is benzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium.

Molecular Properties

Compound Namebenzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium
PubChem CID54447227
Molecular FormulaC19H32NO+
Molecular Weight290.47 g/mol
Exact Mass290.25
IUPAC Namebenzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium
SMILESCC(C)C1CCC(C)(O)C([N+](C)(C)Cc2ccccc2)C1
InChIInChI=1S/C19H32NO/c1-15(2)17-11-12-19(3,21)18(13-17)20(4,5)14-16-9-7-6-8-10-16/h6-10,15,17-18,21H,11-14H2,1-5H3/q+1
InChIKeyWSJKXBFMWUXFSA-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze benzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium 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 benzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium?
The IUPAC name of benzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium (CID 54447227) is benzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium.
What is the SMILES notation for benzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium?
The canonical SMILES for benzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium is CC(C)C1CCC(C)(O)C([N+](C)(C)Cc2ccccc2)C1.
What is the InChIKey of benzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium?
The InChIKey is WSJKXBFMWUXFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32NO/c1-15(2)17-11-12-19(3,21)18(13-17)20(4,5)14-16-9-7-6-8-10-16/h6-10,15,17-18,21H,11-14H2,1-5H3/q+1.
What are the key properties of benzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium?
benzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium has a molecular weight of 290.47 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium is sourced from PubChem (CID 54447227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).