butyl-dimethyl-(2-methylbutyl)azanium

C11H26N+ — CID 88981039

IUPACbutyl-dimethyl-(2-methylbutyl)azanium
SMILESCCCC[N+](C)(C)CC(C)CC
InChIInChI=1S/C11H26N/c1-6-8-9-12(4,5)10-11(3)7-2/h11H,6-10H2,1-5H3/q+1
InChIKeySWXHBLUTFZULRN-UHFFFAOYSA-N
MW172.34 g/mol
LogP2.91
Rot. Bonds6

About butyl-dimethyl-(2-methylbutyl)azanium

butyl-dimethyl-(2-methylbutyl)azanium (PubChem CID 88981039) has the molecular formula C11H26N+ and a molecular weight of 172.34 g/mol. Its IUPAC name is butyl-dimethyl-(2-methylbutyl)azanium.

Molecular Properties

Compound Namebutyl-dimethyl-(2-methylbutyl)azanium
PubChem CID88981039
Molecular FormulaC11H26N+
Molecular Weight172.34 g/mol
Exact Mass172.21
IUPAC Namebutyl-dimethyl-(2-methylbutyl)azanium
SMILESCCCC[N+](C)(C)CC(C)CC
InChIInChI=1S/C11H26N/c1-6-8-9-12(4,5)10-11(3)7-2/h11H,6-10H2,1-5H3/q+1
InChIKeySWXHBLUTFZULRN-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 52.91
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

dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium
CID 123829284
butyl-dimethyl-[2-(trimethylazaniumyl)propyl]azanium
CID 166753728
4,4-bis(2-propoxyethoxy)butyl-dimethyl-(2-methylbutyl)azanium
CID 59411742
methyl-(2-methylbutyl)-dipropylazanium
CID 139247008
dimethyl-bis(2-methyltetradecyl)azanium chloride
CID 18681297
butyl-dimethyl-propylazanium;ethane
CID 156736047
butyl-dimethyl-pentadecylazanium
CID 58827785
methane;trimethyl(2-methylbutyl)azanium
CID 162147033
[4-[dimethyl(tetradecyl)azaniumyl]-2,3-dihydroxybutyl]-dimethyl-tetradecylazanium
CID 101147257
dodecyl-[1-[dodecyl(dimethyl)azaniumyl]pentan-2-yl]-dimethylazanium
CID 53406146
2-(hydroxymethyl)butyl-dimethyl-tetradecylazanium
CID 121392344
butyl-dodecyl-dimethylazanium iodide
CID 10524862

Frequently Asked Questions

What is the IUPAC name of butyl-dimethyl-(2-methylbutyl)azanium?
The IUPAC name of butyl-dimethyl-(2-methylbutyl)azanium (CID 88981039) is butyl-dimethyl-(2-methylbutyl)azanium.
What is the SMILES notation for butyl-dimethyl-(2-methylbutyl)azanium?
The canonical SMILES for butyl-dimethyl-(2-methylbutyl)azanium is CCCC[N+](C)(C)CC(C)CC.
What is the InChIKey of butyl-dimethyl-(2-methylbutyl)azanium?
The InChIKey is SWXHBLUTFZULRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N/c1-6-8-9-12(4,5)10-11(3)7-2/h11H,6-10H2,1-5H3/q+1.
What are the key properties of butyl-dimethyl-(2-methylbutyl)azanium?
butyl-dimethyl-(2-methylbutyl)azanium has a molecular weight of 172.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-(2-methylbutyl)azanium is sourced from PubChem (CID 88981039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).