N-ethoxy-N-methylpropan-1-amine oxide

C6H15NO2 — CID 175077084

IUPACN-ethoxy-N-methylpropan-1-amine oxide
SMILESCCC[N+](C)([O-])OCC
InChIInChI=1S/C6H15NO2/c1-4-6-7(3,8)9-5-2/h4-6H2,1-3H3
InChIKeyMKXZYAAWBPILTK-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.29
Rot. Bonds4

About N-ethoxy-N-methylpropan-1-amine oxide

N-ethoxy-N-methylpropan-1-amine oxide (PubChem CID 175077084) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is N-ethoxy-N-methylpropan-1-amine oxide.

Molecular Properties

Compound NameN-ethoxy-N-methylpropan-1-amine oxide
PubChem CID175077084
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC NameN-ethoxy-N-methylpropan-1-amine oxide
SMILESCCC[N+](C)([O-])OCC
InChIInChI=1S/C6H15NO2/c1-4-6-7(3,8)9-5-2/h4-6H2,1-3H3
InChIKeyMKXZYAAWBPILTK-UHFFFAOYSA-N
XLogP1.29
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methylpropan-1-amine oxide
CID 102278866
butyl-ethoxy-dipropylazanium
CID 87333997
N-methyl-N-propoxymethanamine oxide
CID 54365110
O-ethylhydroxylamine;trimethyl(propyl)azanium
CID 162168540
dimethyl(dipropyl)azanium chloride
CID 19774441
amino-ethoxy-methoxy-methylazanium
CID 163831718
2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium
CID 102439833
ethoxy-methyl-prop-2-enoyloxy-propylazanium chloride
CID 174456645
methanidyl-dimethyl-propylazanium
CID 157375220
N-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide
CID 175550405
ethoxymethyl(tripropyl)azanium
CID 87333996
N-(2-hydroxyethyl)-N-propylpropan-1-amine oxide
CID 102416787

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-N-methylpropan-1-amine oxide?
The IUPAC name of N-ethoxy-N-methylpropan-1-amine oxide (CID 175077084) is N-ethoxy-N-methylpropan-1-amine oxide.
What is the SMILES notation for N-ethoxy-N-methylpropan-1-amine oxide?
The canonical SMILES for N-ethoxy-N-methylpropan-1-amine oxide is CCC[N+](C)([O-])OCC.
What is the InChIKey of N-ethoxy-N-methylpropan-1-amine oxide?
The InChIKey is MKXZYAAWBPILTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-4-6-7(3,8)9-5-2/h4-6H2,1-3H3.
What are the key properties of N-ethoxy-N-methylpropan-1-amine oxide?
N-ethoxy-N-methylpropan-1-amine oxide has a molecular weight of 133.19 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N-methylpropan-1-amine oxide is sourced from PubChem (CID 175077084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).