butyl-dimethyl-[2-(trimethylazaniumyl)propyl]azanium

C12H30N2+2 — CID 166753728

IUPACbutyl-dimethyl-[2-(trimethylazaniumyl)propyl]azanium
SMILESCCCC[N+](C)(C)CC(C)[N+](C)(C)C
InChIInChI=1S/C12H30N2/c1-8-9-10-14(6,7)11-12(2)13(3,4)5/h12H,8-11H2,1-7H3/q+2
InChIKeyFEWGSTZROOPMGX-UHFFFAOYSA-N
MW202.39 g/mol
LogP1.96
Rot. Bonds6

About butyl-dimethyl-[2-(trimethylazaniumyl)propyl]azanium

butyl-dimethyl-[2-(trimethylazaniumyl)propyl]azanium (PubChem CID 166753728) has the molecular formula C12H30N2+2 and a molecular weight of 202.39 g/mol. Its IUPAC name is butyl-dimethyl-[2-(trimethylazaniumyl)propyl]azanium.

Molecular Properties

Compound Namebutyl-dimethyl-[2-(trimethylazaniumyl)propyl]azanium
PubChem CID166753728
Molecular FormulaC12H30N2+2
Molecular Weight202.39 g/mol
Exact Mass202.24
IUPAC Namebutyl-dimethyl-[2-(trimethylazaniumyl)propyl]azanium
SMILESCCCC[N+](C)(C)CC(C)[N+](C)(C)C
InChIInChI=1S/C12H30N2/c1-8-9-10-14(6,7)11-12(2)13(3,4)5/h12H,8-11H2,1-7H3/q+2
InChIKeyFEWGSTZROOPMGX-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 51.96
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

butyl-dimethyl-(2-methylbutyl)azanium
CID 88981039
butyl-dimethyl-propylazanium;ethane
CID 156736047
butyl-dimethyl-pentadecylazanium
CID 58827785
[4-[dimethyl(tetradecyl)azaniumyl]-2,3-dihydroxybutyl]-dimethyl-tetradecylazanium
CID 101147257
docosan-2-yl(trimethyl)azanium
CID 141375855
butyl-dodecyl-dimethylazanium iodide
CID 10524862
6-[dimethyl(2-methylpropyl)azaniumyl]hexyl-dimethyl-(2-methylpropyl)azanium
CID 24833342
icosan-2-yl(trimethyl)azanium chloride
CID 139396717
butyl-dimethyl-pentan-2-ylazanium
CID 123184718
decan-2-yl(trimethyl)azanium chloride
CID 174768597
1-[dimethyl(tetradecyl)azaniumyl]propane-2-sulfonate
CID 172766429
decyl-(2-hydroxydodecyl)-dimethylazanium
CID 10072473

Frequently Asked Questions

What is the IUPAC name of butyl-dimethyl-[2-(trimethylazaniumyl)propyl]azanium?
The IUPAC name of butyl-dimethyl-[2-(trimethylazaniumyl)propyl]azanium (CID 166753728) is butyl-dimethyl-[2-(trimethylazaniumyl)propyl]azanium.
What is the SMILES notation for butyl-dimethyl-[2-(trimethylazaniumyl)propyl]azanium?
The canonical SMILES for butyl-dimethyl-[2-(trimethylazaniumyl)propyl]azanium is CCCC[N+](C)(C)CC(C)[N+](C)(C)C.
What is the InChIKey of butyl-dimethyl-[2-(trimethylazaniumyl)propyl]azanium?
The InChIKey is FEWGSTZROOPMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2/c1-8-9-10-14(6,7)11-12(2)13(3,4)5/h12H,8-11H2,1-7H3/q+2.
What are the key properties of butyl-dimethyl-[2-(trimethylazaniumyl)propyl]azanium?
butyl-dimethyl-[2-(trimethylazaniumyl)propyl]azanium has a molecular weight of 202.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-[2-(trimethylazaniumyl)propyl]azanium is sourced from PubChem (CID 166753728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).