butyl-ethoxy-dipropylazanium

C12H28NO+ — CID 87333997

IUPACbutyl-ethoxy-dipropylazanium
SMILESCCCC[N+](CCC)(CCC)OCC
InChIInChI=1S/C12H28NO/c1-5-9-12-13(10-6-2,11-7-3)14-8-4/h5-12H2,1-4H3/q+1
InChIKeyXJIKVKRJZVVUEU-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.37
Rot. Bonds9

About butyl-ethoxy-dipropylazanium

butyl-ethoxy-dipropylazanium (PubChem CID 87333997) has the molecular formula C12H28NO+ and a molecular weight of 202.36 g/mol. Its IUPAC name is butyl-ethoxy-dipropylazanium.

Molecular Properties

Compound Namebutyl-ethoxy-dipropylazanium
PubChem CID87333997
Molecular FormulaC12H28NO+
Molecular Weight202.36 g/mol
Exact Mass202.22
IUPAC Namebutyl-ethoxy-dipropylazanium
SMILESCCCC[N+](CCC)(CCC)OCC
InChIInChI=1S/C12H28NO/c1-5-9-12-13(10-6-2,11-7-3)14-8-4/h5-12H2,1-4H3/q+1
InChIKeyXJIKVKRJZVVUEU-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dibutyl-methoxy-pentylazanium
CID 174501319
butoxy-dibutyl-(3-sulfooxypropyl)azanium
CID 147701847
N-ethoxy-N-methylpropan-1-amine oxide
CID 175077084
ethyl (tributylazaniumyl) phosphate
CID 154360962
butyl-dimethyl-propylazanium;ethane
CID 156736047
butyl-dipentyl-propylazanium chloride
CID 88839521
dibutyl-hexadecyl-propylazanium
CID 87194483
O-ethylhydroxylamine;pentane
CID 91358328
dodecane;tetrabutylazanium
CID 173225937
butyl(tripentyl)azanium
CID 14022644
tetrabutylazanium;pentahydrate
CID 173386676
tetrabutylazanium hydroxide
CID 2723671

Frequently Asked Questions

What is the IUPAC name of butyl-ethoxy-dipropylazanium?
The IUPAC name of butyl-ethoxy-dipropylazanium (CID 87333997) is butyl-ethoxy-dipropylazanium.
What is the SMILES notation for butyl-ethoxy-dipropylazanium?
The canonical SMILES for butyl-ethoxy-dipropylazanium is CCCC[N+](CCC)(CCC)OCC.
What is the InChIKey of butyl-ethoxy-dipropylazanium?
The InChIKey is XJIKVKRJZVVUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO/c1-5-9-12-13(10-6-2,11-7-3)14-8-4/h5-12H2,1-4H3/q+1.
What are the key properties of butyl-ethoxy-dipropylazanium?
butyl-ethoxy-dipropylazanium has a molecular weight of 202.36 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethoxy-dipropylazanium is sourced from PubChem (CID 87333997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).