butyl-dodecyl-dimethylazanium iodide

C18H40IN — CID 10524862

IUPACbutyl-dodecyl-dimethylazanium iodide
SMILESCCCCCCCCCCCC[N+](C)(C)CCCC.[I-]
InChIInChI=1S/C18H40N.HI/c1-5-7-9-10-11-12-13-14-15-16-18-19(3,4)17-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
InChIKeySKWQHRYKHFHVGE-UHFFFAOYSA-M
MW397.43 g/mol
LogP2.79
Rot. Bonds14

About butyl-dodecyl-dimethylazanium iodide

butyl-dodecyl-dimethylazanium iodide (PubChem CID 10524862) has the molecular formula C18H40IN and a molecular weight of 397.43 g/mol. Its IUPAC name is butyl-dodecyl-dimethylazanium iodide.

Molecular Properties

Compound Namebutyl-dodecyl-dimethylazanium iodide
PubChem CID10524862
Molecular FormulaC18H40IN
Molecular Weight397.43 g/mol
Exact Mass397.22
IUPAC Namebutyl-dodecyl-dimethylazanium iodide
SMILESCCCCCCCCCCCC[N+](C)(C)CCCC.[I-]
InChIInChI=1S/C18H40N.HI/c1-5-7-9-10-11-12-13-14-15-16-18-19(3,4)17-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
InChIKeySKWQHRYKHFHVGE-UHFFFAOYSA-M
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl-dimethyl-pentadecylazanium
CID 58827785
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
dodecyl-dimethyl-undecylazanium
CID 21491028
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
dimethyl-pentyl-tridecylazanium
CID 160884159

Frequently Asked Questions

What is the IUPAC name of butyl-dodecyl-dimethylazanium iodide?
The IUPAC name of butyl-dodecyl-dimethylazanium iodide (CID 10524862) is butyl-dodecyl-dimethylazanium iodide.
What is the SMILES notation for butyl-dodecyl-dimethylazanium iodide?
The canonical SMILES for butyl-dodecyl-dimethylazanium iodide is CCCCCCCCCCCC[N+](C)(C)CCCC.[I-].
What is the InChIKey of butyl-dodecyl-dimethylazanium iodide?
The InChIKey is SKWQHRYKHFHVGE-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H40N.HI/c1-5-7-9-10-11-12-13-14-15-16-18-19(3,4)17-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1.
What are the key properties of butyl-dodecyl-dimethylazanium iodide?
butyl-dodecyl-dimethylazanium iodide has a molecular weight of 397.43 g/mol, XLogP of 2.79, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dodecyl-dimethylazanium iodide is sourced from PubChem (CID 10524862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).