butyl-(2-ethoxypropyl)-ethyl-propylazanium

C14H32NO+ — CID 170124397

IUPACbutyl-(2-ethoxypropyl)-ethyl-propylazanium
SMILESCCCC[N+](CC)(CCC)CC(C)OCC
InChIInChI=1S/C14H32NO/c1-6-10-12-15(8-3,11-7-2)13-14(5)16-9-4/h14H,6-13H2,1-5H3/q+1
InChIKeyGNWSDWJCOIXTSK-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.46
Rot. Bonds10

About butyl-(2-ethoxypropyl)-ethyl-propylazanium

butyl-(2-ethoxypropyl)-ethyl-propylazanium (PubChem CID 170124397) has the molecular formula C14H32NO+ and a molecular weight of 230.42 g/mol. Its IUPAC name is butyl-(2-ethoxypropyl)-ethyl-propylazanium.

Molecular Properties

Compound Namebutyl-(2-ethoxypropyl)-ethyl-propylazanium
PubChem CID170124397
Molecular FormulaC14H32NO+
Molecular Weight230.42 g/mol
Exact Mass230.25
IUPAC Namebutyl-(2-ethoxypropyl)-ethyl-propylazanium
SMILESCCCC[N+](CC)(CCC)CC(C)OCC
InChIInChI=1S/C14H32NO/c1-6-10-12-15(8-3,11-7-2)13-14(5)16-9-4/h14H,6-13H2,1-5H3/q+1
InChIKeyGNWSDWJCOIXTSK-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dibutyl-ethyl-propylazanium hydroxide
CID 126618313
dibutyl(diethyl)azanium;titanium
CID 175271824
ethyl-dihexyl-(2-methylpropyl)azanium
CID 87480234
butyl-dipentyl-propylazanium chloride
CID 88839521
dibutyl-hexadecyl-propylazanium
CID 87194483
2-ethoxytridecane
CID 54143367
propyl-tri(tetradecyl)azanium
CID 22408967
tris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide
CID 21458250
hexadecyl-[4-[hexadecyl(dipropyl)azaniumyl]butyl]-dipropylazanium
CID 122218461
dihexyl(dipropyl)azanium
CID 23088856
propyl-tri(undecyl)azanium
CID 54352857
tributyl(1-ethoxyethyl)stannane
CID 10926565

Frequently Asked Questions

What is the IUPAC name of butyl-(2-ethoxypropyl)-ethyl-propylazanium?
The IUPAC name of butyl-(2-ethoxypropyl)-ethyl-propylazanium (CID 170124397) is butyl-(2-ethoxypropyl)-ethyl-propylazanium.
What is the SMILES notation for butyl-(2-ethoxypropyl)-ethyl-propylazanium?
The canonical SMILES for butyl-(2-ethoxypropyl)-ethyl-propylazanium is CCCC[N+](CC)(CCC)CC(C)OCC.
What is the InChIKey of butyl-(2-ethoxypropyl)-ethyl-propylazanium?
The InChIKey is GNWSDWJCOIXTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO/c1-6-10-12-15(8-3,11-7-2)13-14(5)16-9-4/h14H,6-13H2,1-5H3/q+1.
What are the key properties of butyl-(2-ethoxypropyl)-ethyl-propylazanium?
butyl-(2-ethoxypropyl)-ethyl-propylazanium has a molecular weight of 230.42 g/mol, XLogP of 3.46, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2-ethoxypropyl)-ethyl-propylazanium is sourced from PubChem (CID 170124397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).