2-dodecoxyethyl(trimethyl)azanium chloride

C17H38ClNO — CID 22138573

IUPAC2-dodecoxyethyl(trimethyl)azanium chloride
SMILESCCCCCCCCCCCCOCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C17H38NO.ClH/c1-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKeyUMNQHIWEUJDBGY-UHFFFAOYSA-M
MW307.95 g/mol
LogP1.63
Rot. Bonds14

About 2-dodecoxyethyl(trimethyl)azanium chloride

2-dodecoxyethyl(trimethyl)azanium chloride (PubChem CID 22138573) has the molecular formula C17H38ClNO and a molecular weight of 307.95 g/mol. Its IUPAC name is 2-dodecoxyethyl(trimethyl)azanium chloride.

Molecular Properties

Compound Name2-dodecoxyethyl(trimethyl)azanium chloride
PubChem CID22138573
Molecular FormulaC17H38ClNO
Molecular Weight307.95 g/mol
Exact Mass307.26
IUPAC Name2-dodecoxyethyl(trimethyl)azanium chloride
SMILESCCCCCCCCCCCCOCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C17H38NO.ClH/c1-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKeyUMNQHIWEUJDBGY-UHFFFAOYSA-M
XLogP1.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.95
LogP ≤ 51.63
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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Frequently Asked Questions

What is the IUPAC name of 2-dodecoxyethyl(trimethyl)azanium chloride?
The IUPAC name of 2-dodecoxyethyl(trimethyl)azanium chloride (CID 22138573) is 2-dodecoxyethyl(trimethyl)azanium chloride.
What is the SMILES notation for 2-dodecoxyethyl(trimethyl)azanium chloride?
The canonical SMILES for 2-dodecoxyethyl(trimethyl)azanium chloride is CCCCCCCCCCCCOCC[N+](C)(C)C.[Cl-].
What is the InChIKey of 2-dodecoxyethyl(trimethyl)azanium chloride?
The InChIKey is UMNQHIWEUJDBGY-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H38NO.ClH/c1-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 2-dodecoxyethyl(trimethyl)azanium chloride?
2-dodecoxyethyl(trimethyl)azanium chloride has a molecular weight of 307.95 g/mol, XLogP of 1.63, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxyethyl(trimethyl)azanium chloride is sourced from PubChem (CID 22138573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).