(2-ethyl-2,4,4-trimethylhexyl)-trimethylazanium

C14H32N+ — CID 123461566

IUPAC(2-ethyl-2,4,4-trimethylhexyl)-trimethylazanium
SMILESCCC(C)(C)CC(C)(CC)C[N+](C)(C)C
InChIInChI=1S/C14H32N/c1-9-13(3,4)11-14(5,10-2)12-15(6,7)8/h9-12H2,1-8H3/q+1
InChIKeyCHBHGDVCGGNFJS-UHFFFAOYSA-N
MW214.42 g/mol
LogP3.94
Rot. Bonds6

About (2-ethyl-2,4,4-trimethylhexyl)-trimethylazanium

(2-ethyl-2,4,4-trimethylhexyl)-trimethylazanium (PubChem CID 123461566) has the molecular formula C14H32N+ and a molecular weight of 214.42 g/mol. Its IUPAC name is (2-ethyl-2,4,4-trimethylhexyl)-trimethylazanium.

Molecular Properties

Compound Name(2-ethyl-2,4,4-trimethylhexyl)-trimethylazanium
PubChem CID123461566
Molecular FormulaC14H32N+
Molecular Weight214.42 g/mol
Exact Mass214.25
IUPAC Name(2-ethyl-2,4,4-trimethylhexyl)-trimethylazanium
SMILESCCC(C)(C)CC(C)(CC)C[N+](C)(C)C
InChIInChI=1S/C14H32N/c1-9-13(3,4)11-14(5,10-2)12-15(6,7)8/h9-12H2,1-8H3/q+1
InChIKeyCHBHGDVCGGNFJS-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 53.94
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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Related Compounds

5-ethyl-5,7,7-trimethylnon-2-ene
CID 123630849
2-chloro-2,4,4-trimethylhexane
CID 58017854
1,1,1-trifluoro-3,3-dimethylpentane
CID 21014884
2-fluoro-2,4,4-trimethylhexane
CID 155702638
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
3,3-dimethylpentane;propane
CID 90942978
ethane;3-ethyl-3-methylpentane
CID 158904304
4,4,6,6-tetramethyloct-2-ene
CID 123519288
3-bromo-3,5,5-trimethylheptane
CID 122683982
ethane;2,4,4-trimethylhexan-2-amine
CID 143206912

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2,4,4-trimethylhexyl)-trimethylazanium?
The IUPAC name of (2-ethyl-2,4,4-trimethylhexyl)-trimethylazanium (CID 123461566) is (2-ethyl-2,4,4-trimethylhexyl)-trimethylazanium.
What is the SMILES notation for (2-ethyl-2,4,4-trimethylhexyl)-trimethylazanium?
The canonical SMILES for (2-ethyl-2,4,4-trimethylhexyl)-trimethylazanium is CCC(C)(C)CC(C)(CC)C[N+](C)(C)C.
What is the InChIKey of (2-ethyl-2,4,4-trimethylhexyl)-trimethylazanium?
The InChIKey is CHBHGDVCGGNFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N/c1-9-13(3,4)11-14(5,10-2)12-15(6,7)8/h9-12H2,1-8H3/q+1.
What are the key properties of (2-ethyl-2,4,4-trimethylhexyl)-trimethylazanium?
(2-ethyl-2,4,4-trimethylhexyl)-trimethylazanium has a molecular weight of 214.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2,4,4-trimethylhexyl)-trimethylazanium is sourced from PubChem (CID 123461566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).