trimethyl-(2,3,4,5,6-pentamethylphenyl)azanium

C14H24N+ — CID 87215829

IUPACtrimethyl-(2,3,4,5,6-pentamethylphenyl)azanium
SMILESCc1c(C)c(C)c([N+](C)(C)C)c(C)c1C
InChIInChI=1S/C14H24N/c1-9-10(2)12(4)14(15(6,7)8)13(5)11(9)3/h1-8H3/q+1
InChIKeyWIZOTUGZKNGABY-UHFFFAOYSA-N
MW206.35 g/mol
LogP3.43
Rot. Bonds1

About trimethyl-(2,3,4,5,6-pentamethylphenyl)azanium

trimethyl-(2,3,4,5,6-pentamethylphenyl)azanium (PubChem CID 87215829) has the molecular formula C14H24N+ and a molecular weight of 206.35 g/mol. Its IUPAC name is trimethyl-(2,3,4,5,6-pentamethylphenyl)azanium.

Molecular Properties

Compound Nametrimethyl-(2,3,4,5,6-pentamethylphenyl)azanium
PubChem CID87215829
Molecular FormulaC14H24N+
Molecular Weight206.35 g/mol
Exact Mass206.19
IUPAC Nametrimethyl-(2,3,4,5,6-pentamethylphenyl)azanium
SMILESCc1c(C)c(C)c([N+](C)(C)C)c(C)c1C
InChIInChI=1S/C14H24N/c1-9-10(2)12(4)14(15(6,7)8)13(5)11(9)3/h1-8H3/q+1
InChIKeyWIZOTUGZKNGABY-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 53.43
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-(2,3,4,5,6-pentamethylphenyl)azanium?
The IUPAC name of trimethyl-(2,3,4,5,6-pentamethylphenyl)azanium (CID 87215829) is trimethyl-(2,3,4,5,6-pentamethylphenyl)azanium.
What is the SMILES notation for trimethyl-(2,3,4,5,6-pentamethylphenyl)azanium?
The canonical SMILES for trimethyl-(2,3,4,5,6-pentamethylphenyl)azanium is Cc1c(C)c(C)c([N+](C)(C)C)c(C)c1C.
What is the InChIKey of trimethyl-(2,3,4,5,6-pentamethylphenyl)azanium?
The InChIKey is WIZOTUGZKNGABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N/c1-9-10(2)12(4)14(15(6,7)8)13(5)11(9)3/h1-8H3/q+1.
What are the key properties of trimethyl-(2,3,4,5,6-pentamethylphenyl)azanium?
trimethyl-(2,3,4,5,6-pentamethylphenyl)azanium has a molecular weight of 206.35 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2,3,4,5,6-pentamethylphenyl)azanium is sourced from PubChem (CID 87215829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).