N'-tert-butylpropanehydrazide

C7H16N2O — CID 88905686

IUPACN'-tert-butylpropanehydrazide
SMILESCCC(=O)NNC(C)(C)C
InChIInChI=1S/C7H16N2O/c1-5-6(10)8-9-7(2,3)4/h9H,5H2,1-4H3,(H,8,10)
InChIKeyWTUPXAFHRSNCGG-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.82
Rot. Bonds2

About N'-tert-butylpropanehydrazide

N'-tert-butylpropanehydrazide (PubChem CID 88905686) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N'-tert-butylpropanehydrazide.

Molecular Properties

Compound NameN'-tert-butylpropanehydrazide
PubChem CID88905686
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN'-tert-butylpropanehydrazide
SMILESCCC(=O)NNC(C)(C)C
InChIInChI=1S/C7H16N2O/c1-5-6(10)8-9-7(2,3)4/h9H,5H2,1-4H3,(H,8,10)
InChIKeyWTUPXAFHRSNCGG-UHFFFAOYSA-N
XLogP0.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butylpropanehydrazide?
The IUPAC name of N'-tert-butylpropanehydrazide (CID 88905686) is N'-tert-butylpropanehydrazide.
What is the SMILES notation for N'-tert-butylpropanehydrazide?
The canonical SMILES for N'-tert-butylpropanehydrazide is CCC(=O)NNC(C)(C)C.
What is the InChIKey of N'-tert-butylpropanehydrazide?
The InChIKey is WTUPXAFHRSNCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-5-6(10)8-9-7(2,3)4/h9H,5H2,1-4H3,(H,8,10).
What are the key properties of N'-tert-butylpropanehydrazide?
N'-tert-butylpropanehydrazide has a molecular weight of 144.22 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butylpropanehydrazide is sourced from PubChem (CID 88905686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).