cyclohexyl-(2-hydroxyethyl)-dimethylazanium bromide

C10H22BrNO — CID 10705939

IUPACcyclohexyl-(2-hydroxyethyl)-dimethylazanium bromide
SMILESC[N+](C)(CCO)C1CCCCC1.[Br-]
InChIInChI=1S/C10H22NO.BrH/c1-11(2,8-9-12)10-6-4-3-5-7-10;/h10,12H,3-9H2,1-2H3;1H/q+1;/p-1
InChIKeyRFESTSGFSVBLLK-UHFFFAOYSA-M
MW252.20 g/mol
LogP-1.61
Rot. Bonds3

About cyclohexyl-(2-hydroxyethyl)-dimethylazanium bromide

cyclohexyl-(2-hydroxyethyl)-dimethylazanium bromide (PubChem CID 10705939) has the molecular formula C10H22BrNO and a molecular weight of 252.20 g/mol. Its IUPAC name is cyclohexyl-(2-hydroxyethyl)-dimethylazanium bromide.

Molecular Properties

Compound Namecyclohexyl-(2-hydroxyethyl)-dimethylazanium bromide
PubChem CID10705939
Molecular FormulaC10H22BrNO
Molecular Weight252.20 g/mol
Exact Mass251.09
IUPAC Namecyclohexyl-(2-hydroxyethyl)-dimethylazanium bromide
SMILESC[N+](C)(CCO)C1CCCCC1.[Br-]
InChIInChI=1S/C10H22NO.BrH/c1-11(2,8-9-12)10-6-4-3-5-7-10;/h10,12H,3-9H2,1-2H3;1H/q+1;/p-1
InChIKeyRFESTSGFSVBLLK-UHFFFAOYSA-M
XLogP-1.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 5-1.61
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 cyclohexyl-(2-hydroxyethyl)-dimethylazanium bromide?
The IUPAC name of cyclohexyl-(2-hydroxyethyl)-dimethylazanium bromide (CID 10705939) is cyclohexyl-(2-hydroxyethyl)-dimethylazanium bromide.
What is the SMILES notation for cyclohexyl-(2-hydroxyethyl)-dimethylazanium bromide?
The canonical SMILES for cyclohexyl-(2-hydroxyethyl)-dimethylazanium bromide is C[N+](C)(CCO)C1CCCCC1.[Br-].
What is the InChIKey of cyclohexyl-(2-hydroxyethyl)-dimethylazanium bromide?
The InChIKey is RFESTSGFSVBLLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22NO.BrH/c1-11(2,8-9-12)10-6-4-3-5-7-10;/h10,12H,3-9H2,1-2H3;1H/q+1;/p-1.
What are the key properties of cyclohexyl-(2-hydroxyethyl)-dimethylazanium bromide?
cyclohexyl-(2-hydroxyethyl)-dimethylazanium bromide has a molecular weight of 252.20 g/mol, XLogP of -1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-hydroxyethyl)-dimethylazanium bromide is sourced from PubChem (CID 10705939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).