ethane;methoxy-methyl-methylideneazanium

C7H20NO+ — CID 158329110

IUPACethane;methoxy-methyl-methylideneazanium
SMILESC=[N+](C)OC.CC.CC
InChIInChI=1S/C3H8NO.2C2H6/c1-4(2)5-3;2*1-2/h1H2,2-3H3;2*1-2H3/q+1;;
InChIKeyQTKIWWXHNRBNOY-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.94
Rot. Bonds1

About ethane;methoxy-methyl-methylideneazanium

ethane;methoxy-methyl-methylideneazanium (PubChem CID 158329110) has the molecular formula C7H20NO+ and a molecular weight of 134.24 g/mol. Its IUPAC name is ethane;methoxy-methyl-methylideneazanium.

Molecular Properties

Compound Nameethane;methoxy-methyl-methylideneazanium
PubChem CID158329110
Molecular FormulaC7H20NO+
Molecular Weight134.24 g/mol
Exact Mass134.15
IUPAC Nameethane;methoxy-methyl-methylideneazanium
SMILESC=[N+](C)OC.CC.CC
InChIInChI=1S/C3H8NO.2C2H6/c1-4(2)5-3;2*1-2/h1H2,2-3H3;2*1-2H3/q+1;;
InChIKeyQTKIWWXHNRBNOY-UHFFFAOYSA-N
XLogP1.94
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

ethane;ethene;methoxymethane
CID 143713426
dimethyl(methylidene)azanium;hydroiodide
CID 45051693
ethane;methoxymethane
CID 91263182
ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium
CID 159411313
ethene;methoxymethane
CID 22993216
(4-bromo-4-methoxybut-1-en-2-yl)oxy-methyl-methylideneazanium
CID 170075008
ethenyl-methoxy-oxoazanium
CID 123704544
methyl-methylidene-prop-1-en-2-ylazanium
CID 123573311
methyl nitrate
CID 11724
carbanylium;ethane;methane
CID 157056432
ethane;ethene
CID 143337551
ethane;ethene
CID 143720951

Frequently Asked Questions

What is the IUPAC name of ethane;methoxy-methyl-methylideneazanium?
The IUPAC name of ethane;methoxy-methyl-methylideneazanium (CID 158329110) is ethane;methoxy-methyl-methylideneazanium.
What is the SMILES notation for ethane;methoxy-methyl-methylideneazanium?
The canonical SMILES for ethane;methoxy-methyl-methylideneazanium is C=[N+](C)OC.CC.CC.
What is the InChIKey of ethane;methoxy-methyl-methylideneazanium?
The InChIKey is QTKIWWXHNRBNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO.2C2H6/c1-4(2)5-3;2*1-2/h1H2,2-3H3;2*1-2H3/q+1;;.
What are the key properties of ethane;methoxy-methyl-methylideneazanium?
ethane;methoxy-methyl-methylideneazanium has a molecular weight of 134.24 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxy-methyl-methylideneazanium is sourced from PubChem (CID 158329110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).