butyl-dimethyl-propylazanium;ethane

C11H28N+ — CID 156736047

IUPACbutyl-dimethyl-propylazanium;ethane
SMILESCC.CCCC[N+](C)(C)CCC
InChIInChI=1S/C9H22N.C2H6/c1-5-7-9-10(3,4)8-6-2;1-2/h5-9H2,1-4H3;1-2H3/q+1;
InChIKeyCFFWRYMTZSQXBH-UHFFFAOYSA-N
MW174.35 g/mol
LogP3.30
Rot. Bonds5

About butyl-dimethyl-propylazanium;ethane

butyl-dimethyl-propylazanium;ethane (PubChem CID 156736047) has the molecular formula C11H28N+ and a molecular weight of 174.35 g/mol. Its IUPAC name is butyl-dimethyl-propylazanium;ethane.

Molecular Properties

Compound Namebutyl-dimethyl-propylazanium;ethane
PubChem CID156736047
Molecular FormulaC11H28N+
Molecular Weight174.35 g/mol
Exact Mass174.22
IUPAC Namebutyl-dimethyl-propylazanium;ethane
SMILESCC.CCCC[N+](C)(C)CCC
InChIInChI=1S/C9H22N.C2H6/c1-5-7-9-10(3,4)8-6-2;1-2/h5-9H2,1-4H3;1-2H3/q+1;
InChIKeyCFFWRYMTZSQXBH-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.35
LogP ≤ 53.30
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

heptadecyl-dimethyl-propylazanium
CID 156729751
8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium
CID 175720257
butyl-dimethyl-pentadecylazanium
CID 58827785
2-[bis[2-[butyl(dimethyl)azaniumyl]ethyl]amino]ethyl-butyl-dimethylazanium;ethane
CID 143920284
dimethyl(dipropyl)azanium chloride
CID 19774441
butyl-dodecyl-dimethylazanium iodide
CID 10524862
decyl-heptadecyl-dimethylazanium
CID 22158969
dimethyl-pentyl-tridecylazanium
CID 160884159
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819

Frequently Asked Questions

What is the IUPAC name of butyl-dimethyl-propylazanium;ethane?
The IUPAC name of butyl-dimethyl-propylazanium;ethane (CID 156736047) is butyl-dimethyl-propylazanium;ethane.
What is the SMILES notation for butyl-dimethyl-propylazanium;ethane?
The canonical SMILES for butyl-dimethyl-propylazanium;ethane is CC.CCCC[N+](C)(C)CCC.
What is the InChIKey of butyl-dimethyl-propylazanium;ethane?
The InChIKey is CFFWRYMTZSQXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N.C2H6/c1-5-7-9-10(3,4)8-6-2;1-2/h5-9H2,1-4H3;1-2H3/q+1;.
What are the key properties of butyl-dimethyl-propylazanium;ethane?
butyl-dimethyl-propylazanium;ethane has a molecular weight of 174.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-propylazanium;ethane is sourced from PubChem (CID 156736047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).