2-butoxyethyl(trimethyl)azanium

C9H22NO+ — CID 11378660

IUPAC2-butoxyethyl(trimethyl)azanium
SMILESCCCCOCC[N+](C)(C)C
InChIInChI=1S/C9H22NO/c1-5-6-8-11-9-7-10(2,3)4/h5-9H2,1-4H3/q+1
InChIKeyXYOPMGOBQPODTM-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.51
Rot. Bonds6

About 2-butoxyethyl(trimethyl)azanium

2-butoxyethyl(trimethyl)azanium (PubChem CID 11378660) has the molecular formula C9H22NO+ and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-butoxyethyl(trimethyl)azanium.

Molecular Properties

Compound Name2-butoxyethyl(trimethyl)azanium
PubChem CID11378660
Molecular FormulaC9H22NO+
Molecular Weight160.28 g/mol
Exact Mass160.17
IUPAC Name2-butoxyethyl(trimethyl)azanium
SMILESCCCCOCC[N+](C)(C)C
InChIInChI=1S/C9H22NO/c1-5-6-8-11-9-7-10(2,3)4/h5-9H2,1-4H3/q+1
InChIKeyXYOPMGOBQPODTM-UHFFFAOYSA-N
XLogP1.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-butoxyethyl(trimethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(dimethylaminoethyl) ether
CID 18204
O-Ethylcholine iodide
CID 85369
2-Ethoxy-N,N,N-trimethylpropan-1-aminium chloride
CID 47026
(2-Ethoxyethyl)trimethylammonium chloride
CID 80660
2-Ethoxy-N,N,N-triethylethan-1-aminium iodide
CID 216868
1-Propanamine, 3-(2-(dimethylamino)ethoxy)-N,N-dimethyl-
CID 118728
Methylcholine
CID 20230
O-Ethylcholine
CID 80661
1-Butanaminium, 2-butoxy-N,N,N-trimethyl-, chloride
CID 115401
2-Butoxy-N,N,N-trimethylpropan-1-aminium chloride
CID 115405
(2-Ethoxypropyl)trimethylammonium iodide
CID 3026621
1-Ethoxypropan-2-yl(trimethyl)azanium iodide
CID 90679391

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl(trimethyl)azanium?
The IUPAC name of 2-butoxyethyl(trimethyl)azanium (CID 11378660) is 2-butoxyethyl(trimethyl)azanium.
What is the SMILES notation for 2-butoxyethyl(trimethyl)azanium?
The canonical SMILES for 2-butoxyethyl(trimethyl)azanium is CCCCOCC[N+](C)(C)C.
What is the InChIKey of 2-butoxyethyl(trimethyl)azanium?
The InChIKey is XYOPMGOBQPODTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO/c1-5-6-8-11-9-7-10(2,3)4/h5-9H2,1-4H3/q+1.
What are the key properties of 2-butoxyethyl(trimethyl)azanium?
2-butoxyethyl(trimethyl)azanium has a molecular weight of 160.28 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl(trimethyl)azanium is sourced from PubChem (CID 11378660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).