dibutyl-ethyl-hexan-2-ylazanium

C16H36N+ — CID 175384713

IUPACdibutyl-ethyl-hexan-2-ylazanium
SMILESCCCCC(C)[N+](CC)(CCCC)CCCC
InChIInChI=1S/C16H36N/c1-6-10-13-16(5)17(9-4,14-11-7-2)15-12-8-3/h16H,6-15H2,1-5H3/q+1
InChIKeyUALKWIQIZHKPGC-UHFFFAOYSA-N
MW242.47 g/mol
LogP5.00
Rot. Bonds11

About dibutyl-ethyl-hexan-2-ylazanium

dibutyl-ethyl-hexan-2-ylazanium (PubChem CID 175384713) has the molecular formula C16H36N+ and a molecular weight of 242.47 g/mol. Its IUPAC name is dibutyl-ethyl-hexan-2-ylazanium.

Molecular Properties

Compound Namedibutyl-ethyl-hexan-2-ylazanium
PubChem CID175384713
Molecular FormulaC16H36N+
Molecular Weight242.47 g/mol
Exact Mass242.28
IUPAC Namedibutyl-ethyl-hexan-2-ylazanium
SMILESCCCCC(C)[N+](CC)(CCCC)CCCC
InChIInChI=1S/C16H36N/c1-6-10-13-16(5)17(9-4,14-11-7-2)15-12-8-3/h16H,6-15H2,1-5H3/q+1
InChIKeyUALKWIQIZHKPGC-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.47
LogP ≤ 55.00
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

bis(dibutyl-ethyl-hexan-2-ylazanium);sulfate
CID 175384712
triethyl(hexan-2-yl)azanium
CID 88691011
triethyl(hexadecan-2-yl)azanium
CID 87135879
tributyl(pentan-2-yl)azanium chloride
CID 87105344
triethyl(octan-2-yl)azanium
CID 57165770
tributyl(heptan-3-yl)azanium hydroxide
CID 87346381
dibutyl-octadecyl-tetradecan-5-ylazanium
CID 87948519
6-bromohexan-2-yl(triethyl)azanium bromide
CID 175213397
diethyl-hexyl-(1-hydroxyethyl)azanium chloride
CID 174515808
butyl-dimethyl-pentan-2-ylazanium
CID 123184718
ethyl-heptan-2-yl-dimethylazanium
CID 123202760
N-methyl-N-tetradecylheptadecan-2-amine oxide
CID 88638529

Frequently Asked Questions

What is the IUPAC name of dibutyl-ethyl-hexan-2-ylazanium?
The IUPAC name of dibutyl-ethyl-hexan-2-ylazanium (CID 175384713) is dibutyl-ethyl-hexan-2-ylazanium.
What is the SMILES notation for dibutyl-ethyl-hexan-2-ylazanium?
The canonical SMILES for dibutyl-ethyl-hexan-2-ylazanium is CCCCC(C)[N+](CC)(CCCC)CCCC.
What is the InChIKey of dibutyl-ethyl-hexan-2-ylazanium?
The InChIKey is UALKWIQIZHKPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N/c1-6-10-13-16(5)17(9-4,14-11-7-2)15-12-8-3/h16H,6-15H2,1-5H3/q+1.
What are the key properties of dibutyl-ethyl-hexan-2-ylazanium?
dibutyl-ethyl-hexan-2-ylazanium has a molecular weight of 242.47 g/mol, XLogP of 5.00, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-ethyl-hexan-2-ylazanium is sourced from PubChem (CID 175384713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).