trimethyl-(2-methylcyclohexyl)azanium

C10H22N+ — CID 21409939

IUPACtrimethyl-(2-methylcyclohexyl)azanium
SMILESCC1CCCCC1[N+](C)(C)C
InChIInChI=1S/C10H22N/c1-9-7-5-6-8-10(9)11(2,3)4/h9-10H,5-8H2,1-4H3/q+1
InChIKeyMLJQLXMSOWYQLL-UHFFFAOYSA-N
MW156.29 g/mol
LogP2.27
Rot. Bonds1

About trimethyl-(2-methylcyclohexyl)azanium

trimethyl-(2-methylcyclohexyl)azanium (PubChem CID 21409939) has the molecular formula C10H22N+ and a molecular weight of 156.29 g/mol. Its IUPAC name is trimethyl-(2-methylcyclohexyl)azanium.

Molecular Properties

Compound Nametrimethyl-(2-methylcyclohexyl)azanium
PubChem CID21409939
Molecular FormulaC10H22N+
Molecular Weight156.29 g/mol
Exact Mass156.17
IUPAC Nametrimethyl-(2-methylcyclohexyl)azanium
SMILESCC1CCCCC1[N+](C)(C)C
InChIInChI=1S/C10H22N/c1-9-7-5-6-8-10(9)11(2,3)4/h9-10H,5-8H2,1-4H3/q+1
InChIKeyMLJQLXMSOWYQLL-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 trimethyl-(2-methylcyclohexyl)azanium?
The IUPAC name of trimethyl-(2-methylcyclohexyl)azanium (CID 21409939) is trimethyl-(2-methylcyclohexyl)azanium.
What is the SMILES notation for trimethyl-(2-methylcyclohexyl)azanium?
The canonical SMILES for trimethyl-(2-methylcyclohexyl)azanium is CC1CCCCC1[N+](C)(C)C.
What is the InChIKey of trimethyl-(2-methylcyclohexyl)azanium?
The InChIKey is MLJQLXMSOWYQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N/c1-9-7-5-6-8-10(9)11(2,3)4/h9-10H,5-8H2,1-4H3/q+1.
What are the key properties of trimethyl-(2-methylcyclohexyl)azanium?
trimethyl-(2-methylcyclohexyl)azanium has a molecular weight of 156.29 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-methylcyclohexyl)azanium is sourced from PubChem (CID 21409939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).