trimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]azanium

C15H32NO+ — CID 4226766

IUPACtrimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]azanium
SMILESCC1CCC(C(C)C)C(OCC[N+](C)(C)C)C1
InChIInChI=1S/C15H32NO/c1-12(2)14-8-7-13(3)11-15(14)17-10-9-16(4,5)6/h12-15H,7-11H2,1-6H3/q+1
InChIKeyXLHNIVJJGBTURC-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.17
Rot. Bonds5

About trimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]azanium

trimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]azanium (PubChem CID 4226766) has the molecular formula C15H32NO+ and a molecular weight of 242.43 g/mol. Its IUPAC name is trimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]azanium
PubChem CID4226766
Molecular FormulaC15H32NO+
Molecular Weight242.43 g/mol
Exact Mass242.25
IUPAC Nametrimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]azanium
SMILESCC1CCC(C(C)C)C(OCC[N+](C)(C)C)C1
InChIInChI=1S/C15H32NO/c1-12(2)14-8-7-13(3)11-15(14)17-10-9-16(4,5)6/h12-15H,7-11H2,1-6H3/q+1
InChIKeyXLHNIVJJGBTURC-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]azanium with MolForge

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

Launch Full Analysis

Related Compounds

Triethyl(3-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}propyl)azanium Iodide
CID 45489382
2-(dicyclohexylmethoxy)-N,N-dimethylethanamine
CID 845912
Triethyl(3-{[5-methyl-2-(propan-2-YL)cyclohexyl]oxy}propyl)azanium
CID 4226768
N,N-Diethyl-2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}ethan-1-amine
CID 338086
Trimethyl(3-{[5-methyl-2-(propan-2-YL)cyclohexyl]oxy}propyl)azanium
CID 4226767
butyl-dimethyl-[[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium
CID 91287535
Trimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]azanium
CID 5114843
N-[2-((1R,3R,4S)-1-methyl-4-isopropylcyclohex-3-yloxy)ethyl]-N-(2-hyd roxyethyl)-N-methylamine
CID 18651837
N-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 19762347
N-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]-2-(2-methylpropoxy)ethanamine
CID 57094046
N-[2-((1R,3R,4S)-1-methyl-4-isopropylcyclohex-3-yloxy)ethyl]-N-(2-chlo roethyl)-N-methylamine
CID 57112993
3-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]propan-1-ol
CID 57115712

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]azanium?
The IUPAC name of trimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]azanium (CID 4226766) is trimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]azanium.
What is the SMILES notation for trimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]azanium?
The canonical SMILES for trimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]azanium is CC1CCC(C(C)C)C(OCC[N+](C)(C)C)C1.
What is the InChIKey of trimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]azanium?
The InChIKey is XLHNIVJJGBTURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32NO/c1-12(2)14-8-7-13(3)11-15(14)17-10-9-16(4,5)6/h12-15H,7-11H2,1-6H3/q+1.
What are the key properties of trimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]azanium?
trimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]azanium has a molecular weight of 242.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]azanium is sourced from PubChem (CID 4226766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).