butyl-ethyl-methyl-pentylazanium

C12H28N+ — CID 87508333

IUPACbutyl-ethyl-methyl-pentylazanium
SMILESCCCCC[N+](C)(CC)CCCC
InChIInChI=1S/C12H28N/c1-5-8-10-12-13(4,7-3)11-9-6-2/h5-12H2,1-4H3/q+1
InChIKeyFFPZCGAJBOFQDI-UHFFFAOYSA-N
MW186.36 g/mol
LogP3.44
Rot. Bonds8

About butyl-ethyl-methyl-pentylazanium

butyl-ethyl-methyl-pentylazanium (PubChem CID 87508333) has the molecular formula C12H28N+ and a molecular weight of 186.36 g/mol. Its IUPAC name is butyl-ethyl-methyl-pentylazanium.

Molecular Properties

Compound Namebutyl-ethyl-methyl-pentylazanium
PubChem CID87508333
Molecular FormulaC12H28N+
Molecular Weight186.36 g/mol
Exact Mass186.22
IUPAC Namebutyl-ethyl-methyl-pentylazanium
SMILESCCCCC[N+](C)(CC)CCCC
InChIInChI=1S/C12H28N/c1-5-8-10-12-13(4,7-3)11-9-6-2/h5-12H2,1-4H3/q+1
InChIKeyFFPZCGAJBOFQDI-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethyl-methyl-di(undecyl)azanium
CID 156729684
dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium
CID 87517181
dibutyl-ethyl-methylazanium chloride
CID 22486999
dodecyl-diethyl-methylazanium
CID 14494908
dibutyl-methyl-pentylazanium
CID 21452154
docosyl-diethyl-methylazanium chloride
CID 87975854
butyl-dodecyl-methyl-octylazanium
CID 71382086
dibutyl-ethyl-methylazanium;hydron;tetrafluoroborate
CID 174806932
ethyl-hexyl-(2-hydroxyethyl)-methylazanium
CID 150177845
tris(ethyl-hexyl-methyl-pentylazanium);phosphate
CID 175528872
ethyl-[17-(ethyl-methyl-propylazaniumyl)heptadecyl]-methyl-propylazanium
CID 15871992
heptadecyl-dihexadecyl-methylazanium
CID 174998798

Frequently Asked Questions

What is the IUPAC name of butyl-ethyl-methyl-pentylazanium?
The IUPAC name of butyl-ethyl-methyl-pentylazanium (CID 87508333) is butyl-ethyl-methyl-pentylazanium.
What is the SMILES notation for butyl-ethyl-methyl-pentylazanium?
The canonical SMILES for butyl-ethyl-methyl-pentylazanium is CCCCC[N+](C)(CC)CCCC.
What is the InChIKey of butyl-ethyl-methyl-pentylazanium?
The InChIKey is FFPZCGAJBOFQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N/c1-5-8-10-12-13(4,7-3)11-9-6-2/h5-12H2,1-4H3/q+1.
What are the key properties of butyl-ethyl-methyl-pentylazanium?
butyl-ethyl-methyl-pentylazanium has a molecular weight of 186.36 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethyl-methyl-pentylazanium is sourced from PubChem (CID 87508333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).