tert-butyl N-methylethanehydrazonate

C7H16N2O — CID 159503466

IUPACtert-butyl N-methylethanehydrazonate
SMILESCNN=C(C)OC(C)(C)C
InChIInChI=1S/C7H16N2O/c1-6(9-8-5)10-7(2,3)4/h8H,1-5H3
InChIKeyYDWLNYBOUSGLSA-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.35
Rot. Bonds1

About tert-butyl N-methylethanehydrazonate

tert-butyl N-methylethanehydrazonate (PubChem CID 159503466) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is tert-butyl N-methylethanehydrazonate.

Molecular Properties

Compound Nametert-butyl N-methylethanehydrazonate
PubChem CID159503466
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Nametert-butyl N-methylethanehydrazonate
SMILESCNN=C(C)OC(C)(C)C
InChIInChI=1S/C7H16N2O/c1-6(9-8-5)10-7(2,3)4/h8H,1-5H3
InChIKeyYDWLNYBOUSGLSA-UHFFFAOYSA-N
XLogP1.35
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-propan-2-ylethanimidate;ethane;2-methylpropane
CID 164563435
tert-butyl 3-oxobutanoate;zirconium(4+)
CID 175741661
tert-butyl acetate
CID 159704758
tert-butyl 2-(methylamino)acetate;ethane
CID 143004820
tert-butyl 2-(methylamino)acetate;hydrochloride
CID 11252350
tert-butyl N-(3-methylidenecyclobutyl)ethanimidate
CID 91457897
tert-butyl N-methylcarbamate;ethane
CID 142957488
tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate
CID 124927744
tert-butyl 2-(methylamino)acetate;hydron;chloride
CID 45382244
tert-butyl 3-oxo-3-(phosphanylamino)propanoate
CID 139519590
tert-butyl acetate;iron
CID 174907269
sodium tert-butyl acetate
CID 22391906

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methylethanehydrazonate?
The IUPAC name of tert-butyl N-methylethanehydrazonate (CID 159503466) is tert-butyl N-methylethanehydrazonate.
What is the SMILES notation for tert-butyl N-methylethanehydrazonate?
The canonical SMILES for tert-butyl N-methylethanehydrazonate is CNN=C(C)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methylethanehydrazonate?
The InChIKey is YDWLNYBOUSGLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(9-8-5)10-7(2,3)4/h8H,1-5H3.
What are the key properties of tert-butyl N-methylethanehydrazonate?
tert-butyl N-methylethanehydrazonate has a molecular weight of 144.22 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methylethanehydrazonate is sourced from PubChem (CID 159503466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).