1-(2-tert-butylhydrazinyl)propan-2-one

C7H16N2O — CID 155664280

IUPAC1-(2-tert-butylhydrazinyl)propan-2-one
SMILESCC(=O)CNNC(C)(C)C
InChIInChI=1S/C7H16N2O/c1-6(10)5-8-9-7(2,3)4/h8-9H,5H2,1-4H3
InChIKeyVGVMNSLZLAHPSM-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.47
Rot. Bonds3

About 1-(2-tert-butylhydrazinyl)propan-2-one

1-(2-tert-butylhydrazinyl)propan-2-one (PubChem CID 155664280) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-(2-tert-butylhydrazinyl)propan-2-one.

Molecular Properties

Compound Name1-(2-tert-butylhydrazinyl)propan-2-one
PubChem CID155664280
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1-(2-tert-butylhydrazinyl)propan-2-one
SMILESCC(=O)CNNC(C)(C)C
InChIInChI=1S/C7H16N2O/c1-6(10)5-8-9-7(2,3)4/h8-9H,5H2,1-4H3
InChIKeyVGVMNSLZLAHPSM-UHFFFAOYSA-N
XLogP0.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-oxopropyl)hydrazinyl]propan-2-one
CID 122579166
3-methyl-3-(2-oxopropylamino)butan-2-one;hydrochloride
CID 53444496
(2-oxopropylamino)thiourea
CID 140983866
1-(2,2-difluoropropylamino)propan-2-one
CID 143630072
1-(2-tert-butylhydrazinyl)-N-methylmethanamine
CID 139323855
1-hydrazinylpropan-2-one
CID 18717161
1-tert-butyl-2-ethylhydrazine;hydrochloride
CID 155291373
Lithium pentane-2,4-dione
CID 86735745
N'-tert-butylpropanehydrazide
CID 88905686
1-[4-(2-oxopropylamino)anilino]propan-2-one
CID 141317857
1-(2-methylbut-3-yn-2-ylamino)propan-2-one;hydrochloride
CID 53444389
2,2,4,4-tetramethyl-N-(2-oxopropyl)pentanamide
CID 91448158

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylhydrazinyl)propan-2-one?
The IUPAC name of 1-(2-tert-butylhydrazinyl)propan-2-one (CID 155664280) is 1-(2-tert-butylhydrazinyl)propan-2-one.
What is the SMILES notation for 1-(2-tert-butylhydrazinyl)propan-2-one?
The canonical SMILES for 1-(2-tert-butylhydrazinyl)propan-2-one is CC(=O)CNNC(C)(C)C.
What is the InChIKey of 1-(2-tert-butylhydrazinyl)propan-2-one?
The InChIKey is VGVMNSLZLAHPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(10)5-8-9-7(2,3)4/h8-9H,5H2,1-4H3.
What are the key properties of 1-(2-tert-butylhydrazinyl)propan-2-one?
1-(2-tert-butylhydrazinyl)propan-2-one has a molecular weight of 144.22 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylhydrazinyl)propan-2-one is sourced from PubChem (CID 155664280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).