ethyl-dimethyl-(2-methylpropoxy)azanium

C8H20NO+ — CID 163441581

IUPACethyl-dimethyl-(2-methylpropoxy)azanium
SMILESCC[N+](C)(C)OCC(C)C
InChIInChI=1S/C8H20NO/c1-6-9(4,5)10-7-8(2)3/h8H,6-7H2,1-5H3/q+1
InChIKeyOWJJWPOVPLZDOL-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.67
Rot. Bonds4

About ethyl-dimethyl-(2-methylpropoxy)azanium

ethyl-dimethyl-(2-methylpropoxy)azanium (PubChem CID 163441581) has the molecular formula C8H20NO+ and a molecular weight of 146.25 g/mol. Its IUPAC name is ethyl-dimethyl-(2-methylpropoxy)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(2-methylpropoxy)azanium
PubChem CID163441581
Molecular FormulaC8H20NO+
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Nameethyl-dimethyl-(2-methylpropoxy)azanium
SMILESCC[N+](C)(C)OCC(C)C
InChIInChI=1S/C8H20NO/c1-6-9(4,5)10-7-8(2)3/h8H,6-7H2,1-5H3/q+1
InChIKeyOWJJWPOVPLZDOL-UHFFFAOYSA-N
XLogP1.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

ethyl-dimethyl-propan-2-yloxyazanium
CID 175365440
2-methyl-1-propan-2-ylperoxypropane
CID 123988980
ethanol;2-methyl-1-(2-methylpropoxy)propane
CID 23506368
bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium
CID 59309138
methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
di(butan-2-yl)-bis(2-methylpropoxy)silane
CID 87459611
dichloro-bis(2-methylpropoxy)silane
CID 23432777
3-ethyl-3-(2-methylpropoxy)pentane
CID 123413367
ethyl-methyl-(2-methylpropyl)-propan-2-ylazanium
CID 19814723
1-[(1R)-1-ethoxyethoxy]-2-methylpropane
CID 40566537
2-(2-methylpropylperoxy)butane
CID 57278946
methyl-[2-[methyl-bis(2-methylpropoxy)silyl]ethyl]-bis(2-methylpropoxy)silane
CID 59538064

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(2-methylpropoxy)azanium?
The IUPAC name of ethyl-dimethyl-(2-methylpropoxy)azanium (CID 163441581) is ethyl-dimethyl-(2-methylpropoxy)azanium.
What is the SMILES notation for ethyl-dimethyl-(2-methylpropoxy)azanium?
The canonical SMILES for ethyl-dimethyl-(2-methylpropoxy)azanium is CC[N+](C)(C)OCC(C)C.
What is the InChIKey of ethyl-dimethyl-(2-methylpropoxy)azanium?
The InChIKey is OWJJWPOVPLZDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO/c1-6-9(4,5)10-7-8(2)3/h8H,6-7H2,1-5H3/q+1.
What are the key properties of ethyl-dimethyl-(2-methylpropoxy)azanium?
ethyl-dimethyl-(2-methylpropoxy)azanium has a molecular weight of 146.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(2-methylpropoxy)azanium is sourced from PubChem (CID 163441581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).