decan-5-yl(trimethyl)azanium

C13H30N+ — CID 71390285

IUPACdecan-5-yl(trimethyl)azanium
SMILESCCCCCC(CCCC)[N+](C)(C)C
InChIInChI=1S/C13H30N/c1-6-8-10-12-13(11-9-7-2)14(3,4)5/h13H,6-12H2,1-5H3/q+1
InChIKeyXIKMJPPIQQQTFT-UHFFFAOYSA-N
MW200.39 g/mol
LogP3.83
Rot. Bonds8

About decan-5-yl(trimethyl)azanium

decan-5-yl(trimethyl)azanium (PubChem CID 71390285) has the molecular formula C13H30N+ and a molecular weight of 200.39 g/mol. Its IUPAC name is decan-5-yl(trimethyl)azanium.

Molecular Properties

Compound Namedecan-5-yl(trimethyl)azanium
PubChem CID71390285
Molecular FormulaC13H30N+
Molecular Weight200.39 g/mol
Exact Mass200.24
IUPAC Namedecan-5-yl(trimethyl)azanium
SMILESCCCCCC(CCCC)[N+](C)(C)C
InChIInChI=1S/C13H30N/c1-6-8-10-12-13(11-9-7-2)14(3,4)5/h13H,6-12H2,1-5H3/q+1
InChIKeyXIKMJPPIQQQTFT-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
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(nonan-5-yl)azanium
CID 14113823
trimethyl(octadecan-9-yl)azanium chloride
CID 86184812
docosan-3-yl(trimethyl)azanium chloride
CID 87279743
1-hydroxyicosan-2-yl(trimethyl)azanium
CID 122612180
9,9-dihydroxydecan-5-yl(trimethyl)azanium
CID 141455394
dimethyl-di(octan-3-yl)azanium
CID 155126039
ethyl-dimethyl-octadecan-9-ylazanium
CID 21324513
heptatriacontan-19-yl-methyl-dioctadecylazanium
CID 174891998
(1-chloro-2-hydroxypentadecan-4-yl)-trimethylazanium
CID 158970129
tetra(octan-4-yl)azanium fluoride
CID 87832016
dibutyl-octadecyl-tetradecan-5-ylazanium
CID 87948519
hydroxy-dimethyl-tetradecan-3-ylazanium
CID 87744782

Frequently Asked Questions

What is the IUPAC name of decan-5-yl(trimethyl)azanium?
The IUPAC name of decan-5-yl(trimethyl)azanium (CID 71390285) is decan-5-yl(trimethyl)azanium.
What is the SMILES notation for decan-5-yl(trimethyl)azanium?
The canonical SMILES for decan-5-yl(trimethyl)azanium is CCCCCC(CCCC)[N+](C)(C)C.
What is the InChIKey of decan-5-yl(trimethyl)azanium?
The InChIKey is XIKMJPPIQQQTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N/c1-6-8-10-12-13(11-9-7-2)14(3,4)5/h13H,6-12H2,1-5H3/q+1.
What are the key properties of decan-5-yl(trimethyl)azanium?
decan-5-yl(trimethyl)azanium has a molecular weight of 200.39 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decan-5-yl(trimethyl)azanium is sourced from PubChem (CID 71390285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).