tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate

C8H18N2O3 — CID 23398498

IUPACtert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
SMILESCN(CCON)C(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O3/c1-8(2,3)13-7(11)10(4)5-6-12-9/h5-6,9H2,1-4H3
InChIKeySQGVTSILTDRAAI-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.74
Rot. Bonds3

About tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate

tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate (PubChem CID 23398498) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
PubChem CID23398498
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Nametert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
SMILESCN(CCON)C(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O3/c1-8(2,3)13-7(11)10(4)5-6-12-9/h5-6,9H2,1-4H3
InChIKeySQGVTSILTDRAAI-UHFFFAOYSA-N
XLogP0.74
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylpropanoate
CID 137320757
tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide
CID 158416734
tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate
CID 166698146
tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate
CID 166938037
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
CID 178173815
3-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]propanoic acid
CID 170906120
2-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 139578947
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 6991933
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate
CID 137320760
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate
CID 155943485

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate (CID 23398498) is tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate is CN(CCON)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate?
The InChIKey is SQGVTSILTDRAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-8(2,3)13-7(11)10(4)5-6-12-9/h5-6,9H2,1-4H3.
What are the key properties of tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate?
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate has a molecular weight of 190.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate is sourced from PubChem (CID 23398498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).