2-(hexylamino)oxyethyl-trimethylazanium

C11H27N2O+ — CID 141013083

IUPAC2-(hexylamino)oxyethyl-trimethylazanium
SMILESCCCCCCNOCC[N+](C)(C)C
InChIInChI=1S/C11H27N2O/c1-5-6-7-8-9-12-14-11-10-13(2,3)4/h12H,5-11H2,1-4H3/q+1
InChIKeyRRBCPPXJLDQMPA-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.79
Rot. Bonds9

About 2-(hexylamino)oxyethyl-trimethylazanium

2-(hexylamino)oxyethyl-trimethylazanium (PubChem CID 141013083) has the molecular formula C11H27N2O+ and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-(hexylamino)oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-(hexylamino)oxyethyl-trimethylazanium
PubChem CID141013083
Molecular FormulaC11H27N2O+
Molecular Weight203.35 g/mol
Exact Mass203.21
IUPAC Name2-(hexylamino)oxyethyl-trimethylazanium
SMILESCCCCCCNOCC[N+](C)(C)C
InChIInChI=1S/C11H27N2O/c1-5-6-7-8-9-12-14-11-10-13(2,3)4/h12H,5-11H2,1-4H3/q+1
InChIKeyRRBCPPXJLDQMPA-UHFFFAOYSA-N
XLogP1.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butoxydecan-1-amine
CID 154317996
N-[2-(pentylamino)oxyethoxy]pentan-1-amine
CID 87873811
2-methylprop-1-ene;trimethyl-[3-(pentylamino)oxypropyl]azanium;chloride
CID 175372771
CID 174727700
CID 174727700
3-dodecoxy-N-tetradecoxypropan-1-amine
CID 87645164
trimethyl(2-octoxyethyl)azanium bromide
CID 158985306
N-octadecoxypropan-1-amine
CID 18519352
3-(dodecylamino)propyl-trimethylazanium chloride
CID 166791709
phosphorous acid;trimethyl(2-octadecoxyethyl)azanium
CID 174575298
N-(octadecylamino)oxyoctadecan-1-amine
CID 57437992
N-(tetracosylamino)oxytetracosan-1-amine
CID 134207792
trimethyl(pentatriacontyl)azanium
CID 118223294

Frequently Asked Questions

What is the IUPAC name of 2-(hexylamino)oxyethyl-trimethylazanium?
The IUPAC name of 2-(hexylamino)oxyethyl-trimethylazanium (CID 141013083) is 2-(hexylamino)oxyethyl-trimethylazanium.
What is the SMILES notation for 2-(hexylamino)oxyethyl-trimethylazanium?
The canonical SMILES for 2-(hexylamino)oxyethyl-trimethylazanium is CCCCCCNOCC[N+](C)(C)C.
What is the InChIKey of 2-(hexylamino)oxyethyl-trimethylazanium?
The InChIKey is RRBCPPXJLDQMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N2O/c1-5-6-7-8-9-12-14-11-10-13(2,3)4/h12H,5-11H2,1-4H3/q+1.
What are the key properties of 2-(hexylamino)oxyethyl-trimethylazanium?
2-(hexylamino)oxyethyl-trimethylazanium has a molecular weight of 203.35 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylamino)oxyethyl-trimethylazanium is sourced from PubChem (CID 141013083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).