trimethyl(7-methylnonyl)azanium

C13H30N+ — CID 54435403

IUPACtrimethyl(7-methylnonyl)azanium
SMILESCCC(C)CCCCCC[N+](C)(C)C
InChIInChI=1S/C13H30N/c1-6-13(2)11-9-7-8-10-12-14(3,4)5/h13H,6-12H2,1-5H3/q+1
InChIKeyWKJGKLNBDXGZTF-UHFFFAOYSA-N
MW200.39 g/mol
LogP3.69
Rot. Bonds8

About trimethyl(7-methylnonyl)azanium

trimethyl(7-methylnonyl)azanium (PubChem CID 54435403) has the molecular formula C13H30N+ and a molecular weight of 200.39 g/mol. Its IUPAC name is trimethyl(7-methylnonyl)azanium.

Molecular Properties

Compound Nametrimethyl(7-methylnonyl)azanium
PubChem CID54435403
Molecular FormulaC13H30N+
Molecular Weight200.39 g/mol
Exact Mass200.24
IUPAC Nametrimethyl(7-methylnonyl)azanium
SMILESCCC(C)CCCCCC[N+](C)(C)C
InChIInChI=1S/C13H30N/c1-6-13(2)11-9-7-8-10-12-14(3,4)5/h13H,6-12H2,1-5H3/q+1
InChIKeyWKJGKLNBDXGZTF-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(15-methyltricosyl)azanium
CID 23293385
dihexyl-methyl-(6-methyloctyl)azanium chloride
CID 175281709
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
trimethyl-[7-(2-methylbutylazaniumyl)heptyl]azanium
CID 176865723
(3R,7R)-3,7-dimethylnonane
CID 42626759
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
3,13,19-trimethylheptatriacontane
CID 172565400
3,11-dimethylpentadecane
CID 58340720

Frequently Asked Questions

What is the IUPAC name of trimethyl(7-methylnonyl)azanium?
The IUPAC name of trimethyl(7-methylnonyl)azanium (CID 54435403) is trimethyl(7-methylnonyl)azanium.
What is the SMILES notation for trimethyl(7-methylnonyl)azanium?
The canonical SMILES for trimethyl(7-methylnonyl)azanium is CCC(C)CCCCCC[N+](C)(C)C.
What is the InChIKey of trimethyl(7-methylnonyl)azanium?
The InChIKey is WKJGKLNBDXGZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N/c1-6-13(2)11-9-7-8-10-12-14(3,4)5/h13H,6-12H2,1-5H3/q+1.
What are the key properties of trimethyl(7-methylnonyl)azanium?
trimethyl(7-methylnonyl)azanium has a molecular weight of 200.39 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(7-methylnonyl)azanium is sourced from PubChem (CID 54435403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).