trimethyl(2-pentoxyethyl)azanium chloride

C10H24ClNO — CID 87084702

IUPACtrimethyl(2-pentoxyethyl)azanium chloride
SMILESCCCCCOCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H24NO.ClH/c1-5-6-7-9-12-10-8-11(2,3)4;/h5-10H2,1-4H3;1H/q+1;/p-1
InChIKeyOXJFAJHJYZUWSO-UHFFFAOYSA-M
MW209.76 g/mol
LogP-1.10
Rot. Bonds7

About trimethyl(2-pentoxyethyl)azanium chloride

trimethyl(2-pentoxyethyl)azanium chloride (PubChem CID 87084702) has the molecular formula C10H24ClNO and a molecular weight of 209.76 g/mol. Its IUPAC name is trimethyl(2-pentoxyethyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl(2-pentoxyethyl)azanium chloride
PubChem CID87084702
Molecular FormulaC10H24ClNO
Molecular Weight209.76 g/mol
Exact Mass209.15
IUPAC Nametrimethyl(2-pentoxyethyl)azanium chloride
SMILESCCCCCOCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H24NO.ClH/c1-5-6-7-9-12-10-8-11(2,3)4;/h5-10H2,1-4H3;1H/q+1;/p-1
InChIKeyOXJFAJHJYZUWSO-UHFFFAOYSA-M
XLogP-1.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.76
LogP ≤ 5-1.10
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'}

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Related Compounds

2-Butoxy-N,N,N-trimethylpropan-1-aminium chloride
CID 115405
2-Butoxyethyl(trimethyl)azanium
CID 11378660
Trimethyl(2-butoxyethyl)ammonium iodide
CID 13938952
2-Ethoxy-N,N,N-triethylethan-1-aminium chloride
CID 24186401
Butylcholine chloride
CID 129844701
(2-Fluoro-2-pentoxypropyl)-trimethylazanium
CID 87169847
2-Butoxy-N,N-dimethylethanamine
CID 546964
(2-Butoxyethyl)triethylammonium iodide
CID 3026386
N,N,N-Trimethyl-2-propoxyethan-1-aminium iodide
CID 23273529
Trimethyl(2-propoxyethyl)azanium
CID 407658
2-Butoxyethyl(triethyl)azanium
CID 3026387
2-heptoxy-N,N-dimethylethanamine
CID 14330631

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-pentoxyethyl)azanium chloride?
The IUPAC name of trimethyl(2-pentoxyethyl)azanium chloride (CID 87084702) is trimethyl(2-pentoxyethyl)azanium chloride.
What is the SMILES notation for trimethyl(2-pentoxyethyl)azanium chloride?
The canonical SMILES for trimethyl(2-pentoxyethyl)azanium chloride is CCCCCOCC[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl(2-pentoxyethyl)azanium chloride?
The InChIKey is OXJFAJHJYZUWSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H24NO.ClH/c1-5-6-7-9-12-10-8-11(2,3)4;/h5-10H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(2-pentoxyethyl)azanium chloride?
trimethyl(2-pentoxyethyl)azanium chloride has a molecular weight of 209.76 g/mol, XLogP of -1.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-pentoxyethyl)azanium chloride is sourced from PubChem (CID 87084702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).