butyl-dimethyl-pentan-2-ylazanium

C11H26N+ — CID 123184718

IUPACbutyl-dimethyl-pentan-2-ylazanium
SMILESCCCC[N+](C)(C)C(C)CCC
InChIInChI=1S/C11H26N/c1-6-8-10-12(4,5)11(3)9-7-2/h11H,6-10H2,1-5H3/q+1
InChIKeyZQLXHWHCERXEDQ-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.05
Rot. Bonds6

About butyl-dimethyl-pentan-2-ylazanium

butyl-dimethyl-pentan-2-ylazanium (PubChem CID 123184718) has the molecular formula C11H26N+ and a molecular weight of 172.34 g/mol. Its IUPAC name is butyl-dimethyl-pentan-2-ylazanium.

Molecular Properties

Compound Namebutyl-dimethyl-pentan-2-ylazanium
PubChem CID123184718
Molecular FormulaC11H26N+
Molecular Weight172.34 g/mol
Exact Mass172.21
IUPAC Namebutyl-dimethyl-pentan-2-ylazanium
SMILESCCCC[N+](C)(C)C(C)CCC
InChIInChI=1S/C11H26N/c1-6-8-10-12(4,5)11(3)9-7-2/h11H,6-10H2,1-5H3/q+1
InChIKeyZQLXHWHCERXEDQ-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
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

decyl-dimethyl-pentadecan-2-ylazanium
CID 88599864
decan-2-yl-dimethyl-pentadecylazanium
CID 87697488
heptadecan-2-yl-hexadecyl-dimethylazanium
CID 175181629
hexadecan-2-yl-hexadecyl-dimethylazanium chloride
CID 141338407
tributyl(pentan-2-yl)azanium chloride
CID 87105344
hydroxy-dimethyl-[(2R)-pentan-2-yl]azanium
CID 88756413
ethyl-heptan-2-yl-dimethylazanium
CID 123202760
3-[icosyl(dimethyl)azaniumyl]butane-1-sulfonate
CID 21393072
1,2-dihydroxypropyl-dodecyl-dimethylazanium
CID 170558264
dimethyl-octyl-propan-2-ylazanium chloride
CID 162517722
dodecyl-dimethyl-(1-sulfopropan-2-yl)azanium
CID 19594164
butyl-dimethyl-[2-(trimethylazaniumyl)propyl]azanium
CID 166753728

Frequently Asked Questions

What is the IUPAC name of butyl-dimethyl-pentan-2-ylazanium?
The IUPAC name of butyl-dimethyl-pentan-2-ylazanium (CID 123184718) is butyl-dimethyl-pentan-2-ylazanium.
What is the SMILES notation for butyl-dimethyl-pentan-2-ylazanium?
The canonical SMILES for butyl-dimethyl-pentan-2-ylazanium is CCCC[N+](C)(C)C(C)CCC.
What is the InChIKey of butyl-dimethyl-pentan-2-ylazanium?
The InChIKey is ZQLXHWHCERXEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N/c1-6-8-10-12(4,5)11(3)9-7-2/h11H,6-10H2,1-5H3/q+1.
What are the key properties of butyl-dimethyl-pentan-2-ylazanium?
butyl-dimethyl-pentan-2-ylazanium has a molecular weight of 172.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-pentan-2-ylazanium is sourced from PubChem (CID 123184718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).