tert-butyl N-ethylcarbamate;hydroxylamine

C7H18N2O3 — CID 21286916

IUPACtert-butyl N-ethylcarbamate;hydroxylamine
SMILESCCNC(=O)OC(C)(C)C.NO
InChIInChI=1S/C7H15NO2.H3NO/c1-5-8-6(9)10-7(2,3)4;1-2/h5H2,1-4H3,(H,8,9);2H,1H2
InChIKeyNTZBJUXHSUFUMC-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.87
Rot. Bonds1

About tert-butyl N-ethylcarbamate;hydroxylamine

tert-butyl N-ethylcarbamate;hydroxylamine (PubChem CID 21286916) has the molecular formula C7H18N2O3 and a molecular weight of 178.23 g/mol. Its IUPAC name is tert-butyl N-ethylcarbamate;hydroxylamine.

Molecular Properties

Compound Nametert-butyl N-ethylcarbamate;hydroxylamine
PubChem CID21286916
Molecular FormulaC7H18N2O3
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Nametert-butyl N-ethylcarbamate;hydroxylamine
SMILESCCNC(=O)OC(C)(C)C.NO
InChIInChI=1S/C7H15NO2.H3NO/c1-5-8-6(9)10-7(2,3)4;1-2/h5H2,1-4H3,(H,8,9);2H,1H2
InChIKeyNTZBJUXHSUFUMC-UHFFFAOYSA-N
XLogP0.87
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-(ethylaminomethyl)carbamate
CID 141447583
tert-butyl N-[4-methyl-3,3-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentyl]carbamate
CID 155196466
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
but-1-ene;tert-butyl N-ethylcarbamate;but-1-yne
CID 142863442
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate
CID 88940321
tert-butyl N-[4-(ethylamino)-4-oxobutyl]carbamate
CID 11138962
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethylcarbamate;hydroxylamine?
The IUPAC name of tert-butyl N-ethylcarbamate;hydroxylamine (CID 21286916) is tert-butyl N-ethylcarbamate;hydroxylamine.
What is the SMILES notation for tert-butyl N-ethylcarbamate;hydroxylamine?
The canonical SMILES for tert-butyl N-ethylcarbamate;hydroxylamine is CCNC(=O)OC(C)(C)C.NO.
What is the InChIKey of tert-butyl N-ethylcarbamate;hydroxylamine?
The InChIKey is NTZBJUXHSUFUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.H3NO/c1-5-8-6(9)10-7(2,3)4;1-2/h5H2,1-4H3,(H,8,9);2H,1H2.
What are the key properties of tert-butyl N-ethylcarbamate;hydroxylamine?
tert-butyl N-ethylcarbamate;hydroxylamine has a molecular weight of 178.23 g/mol, XLogP of 0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethylcarbamate;hydroxylamine is sourced from PubChem (CID 21286916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).