butyl-dimethyl-(2-methylbut-1-enyl)azanium

C11H24N+ — CID 123553214

IUPACbutyl-dimethyl-(2-methylbut-1-enyl)azanium
SMILESCCCC[N+](C)(C)C=C(C)CC
InChIInChI=1S/C11H24N/c1-6-8-9-12(4,5)10-11(3)7-2/h10H,6-9H2,1-5H3/q+1
InChIKeyDIKBHMDTMXPDJS-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.18
Rot. Bonds5

About butyl-dimethyl-(2-methylbut-1-enyl)azanium

butyl-dimethyl-(2-methylbut-1-enyl)azanium (PubChem CID 123553214) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is butyl-dimethyl-(2-methylbut-1-enyl)azanium.

Molecular Properties

Compound Namebutyl-dimethyl-(2-methylbut-1-enyl)azanium
PubChem CID123553214
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Namebutyl-dimethyl-(2-methylbut-1-enyl)azanium
SMILESCCCC[N+](C)(C)C=C(C)CC
InChIInChI=1S/C11H24N/c1-6-8-9-12(4,5)10-11(3)7-2/h10H,6-9H2,1-5H3/q+1
InChIKeyDIKBHMDTMXPDJS-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butyl-dimethyl-(2-methylbut-1-enyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl(trimethyl)azanium;methanol
CID 159541051
(E)-3-methylnon-3-ene
CID 5364647
(Z)-3-methylheptadec-3-ene
CID 159647191
(Z)-3-methylpentadec-3-ene
CID 14954714
3-methyloctadec-3-ene
CID 91073568
iron;tetrabutylazanium;chloride
CID 157427266
dibutyl-(hydroxymethyl)-methylazanium bromide
CID 139956542
dibutyl-prop-2-enoyl-propylazanium
CID 87268891
dibutyl-(3-hydroxypropyl)-methylazanium
CID 58053101
dibutyl-methyl-pentylazanium
CID 21452154
aluminum;tributyl(methyl)azanium;tetrachloride
CID 173050889
dimethyl-octadecyl-prop-1-enylazanium chloride
CID 141266493

Frequently Asked Questions

What is the IUPAC name of butyl-dimethyl-(2-methylbut-1-enyl)azanium?
The IUPAC name of butyl-dimethyl-(2-methylbut-1-enyl)azanium (CID 123553214) is butyl-dimethyl-(2-methylbut-1-enyl)azanium.
What is the SMILES notation for butyl-dimethyl-(2-methylbut-1-enyl)azanium?
The canonical SMILES for butyl-dimethyl-(2-methylbut-1-enyl)azanium is CCCC[N+](C)(C)C=C(C)CC.
What is the InChIKey of butyl-dimethyl-(2-methylbut-1-enyl)azanium?
The InChIKey is DIKBHMDTMXPDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N/c1-6-8-9-12(4,5)10-11(3)7-2/h10H,6-9H2,1-5H3/q+1.
What are the key properties of butyl-dimethyl-(2-methylbut-1-enyl)azanium?
butyl-dimethyl-(2-methylbut-1-enyl)azanium has a molecular weight of 170.32 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-(2-methylbut-1-enyl)azanium is sourced from PubChem (CID 123553214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).