tert-butyl-ethoxy-dimethylazanium

C8H20NO+ — CID 163770143

IUPACtert-butyl-ethoxy-dimethylazanium
SMILESCCO[N+](C)(C)C(C)(C)C
InChIInChI=1S/C8H20NO/c1-7-10-9(5,6)8(2,3)4/h7H2,1-6H3/q+1
InChIKeyXPTYWEOWSVNYLV-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.81
Rot. Bonds2

About tert-butyl-ethoxy-dimethylazanium

tert-butyl-ethoxy-dimethylazanium (PubChem CID 163770143) has the molecular formula C8H20NO+ and a molecular weight of 146.25 g/mol. Its IUPAC name is tert-butyl-ethoxy-dimethylazanium.

Molecular Properties

Compound Nametert-butyl-ethoxy-dimethylazanium
PubChem CID163770143
Molecular FormulaC8H20NO+
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Nametert-butyl-ethoxy-dimethylazanium
SMILESCCO[N+](C)(C)C(C)(C)C
InChIInChI=1S/C8H20NO/c1-7-10-9(5,6)8(2,3)4/h7H2,1-6H3/q+1
InChIKeyXPTYWEOWSVNYLV-UHFFFAOYSA-N
XLogP1.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.81
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

N-ethoxy-N,2-dimethylpropan-2-amine
CID 58320031
N-ethoxy-2-methyl-N-propan-2-ylpropan-2-amine
CID 58320112
N-tert-butyl-N-ethoxy-2-methylpropan-2-amine
CID 58320226
N-ethoxy-N-ethyl-2-methylpropan-2-amine
CID 58320239
N-ethoxy-N-(methoxymethyl)-2-methylpropan-2-amine
CID 59760192
1-Tert-butyl-1-ethoxy-2,2-dimethylhydrazine
CID 87494945
Tert-butyl-diethoxy-methylazanium
CID 88405552
N,2-dimethyl-N-propan-2-yloxypropan-2-amine
CID 89212050
N,2-dimethyl-N-(2-methylpropoxy)propan-2-amine
CID 89212057
N-(2,2-dimethylpropoxy)-N,2-dimethylpropan-2-amine
CID 89212058
N,2-dimethyl-N-propoxypropan-2-amine
CID 89212165
N-butoxy-N,2-dimethylpropan-2-amine
CID 89212166

Frequently Asked Questions

What is the IUPAC name of tert-butyl-ethoxy-dimethylazanium?
The IUPAC name of tert-butyl-ethoxy-dimethylazanium (CID 163770143) is tert-butyl-ethoxy-dimethylazanium.
What is the SMILES notation for tert-butyl-ethoxy-dimethylazanium?
The canonical SMILES for tert-butyl-ethoxy-dimethylazanium is CCO[N+](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-ethoxy-dimethylazanium?
The InChIKey is XPTYWEOWSVNYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO/c1-7-10-9(5,6)8(2,3)4/h7H2,1-6H3/q+1.
What are the key properties of tert-butyl-ethoxy-dimethylazanium?
tert-butyl-ethoxy-dimethylazanium has a molecular weight of 146.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-ethoxy-dimethylazanium is sourced from PubChem (CID 163770143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).