2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide

C9H20N4O2 — CID 63573657

IUPAC2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide
SMILESCC(CC(=O)NN)N(C)CC(=O)N(C)C
InChIInChI=1S/C9H20N4O2/c1-7(5-8(14)11-10)13(4)6-9(15)12(2)3/h7H,5-6,10H2,1-4H3,(H,11,14)
InChIKeyHZIINFZPJQQEQB-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.23
Rot. Bonds5

About 2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide

2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide (PubChem CID 63573657) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide
PubChem CID63573657
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide
SMILESCC(CC(=O)NN)N(C)CC(=O)N(C)C
InChIInChI=1S/C9H20N4O2/c1-7(5-8(14)11-10)13(4)6-9(15)12(2)3/h7H,5-6,10H2,1-4H3,(H,11,14)
InChIKeyHZIINFZPJQQEQB-UHFFFAOYSA-N
XLogP-1.23
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]acetamide
CID 63582922
3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide
CID 63578194
3-[cyclopentylmethyl(methyl)amino]butanehydrazide
CID 63656548
2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide
CID 63577903
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
3-[bis(2-methylpropyl)amino]butanehydrazide
CID 63583922
2-[1-methoxypropan-2-yl(methyl)amino]acetohydrazide
CID 63585055
3-phosphanylbutanehydrazide
CID 163485274
3-hydrazinyl-N,N-dimethyl-3-oxopropanamide;hydrochloride
CID 130621835
3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide
CID 55214641
3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
CID 63571998
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid
CID 62215247

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide (CID 63573657) is 2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide is CC(CC(=O)NN)N(C)CC(=O)N(C)C.
What is the InChIKey of 2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide?
The InChIKey is HZIINFZPJQQEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-7(5-8(14)11-10)13(4)6-9(15)12(2)3/h7H,5-6,10H2,1-4H3,(H,11,14).
What are the key properties of 2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide?
2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide has a molecular weight of 216.28 g/mol, XLogP of -1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 63573657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).