3-(dimethylamino)butan-2-one;N,N',N'-trimethylacetohydrazide

C11H25N3O2 — CID 158300790

IUPAC3-(dimethylamino)butan-2-one;N,N',N'-trimethylacetohydrazide
SMILESCC(=O)C(C)N(C)C.CC(=O)N(C)N(C)C
InChIInChI=1S/C6H13NO.C5H12N2O/c1-5(6(2)8)7(3)4;1-5(8)7(4)6(2)3/h5H,1-4H3;1-4H3
InChIKeyGMLYPQUTJIYVBH-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.47
Rot. Bonds3

About 3-(dimethylamino)butan-2-one;N,N',N'-trimethylacetohydrazide

3-(dimethylamino)butan-2-one;N,N',N'-trimethylacetohydrazide (PubChem CID 158300790) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(dimethylamino)butan-2-one;N,N',N'-trimethylacetohydrazide.

Molecular Properties

Compound Name3-(dimethylamino)butan-2-one;N,N',N'-trimethylacetohydrazide
PubChem CID158300790
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name3-(dimethylamino)butan-2-one;N,N',N'-trimethylacetohydrazide
SMILESCC(=O)C(C)N(C)C.CC(=O)N(C)N(C)C
InChIInChI=1S/C6H13NO.C5H12N2O/c1-5(6(2)8)7(3)4;1-5(8)7(4)6(2)3/h5H,1-4H3;1-4H3
InChIKeyGMLYPQUTJIYVBH-UHFFFAOYSA-N
XLogP0.47
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-(dimethylamino)butan-2-one;N,N',N'-trimethylacetohydrazide?
The IUPAC name of 3-(dimethylamino)butan-2-one;N,N',N'-trimethylacetohydrazide (CID 158300790) is 3-(dimethylamino)butan-2-one;N,N',N'-trimethylacetohydrazide.
What is the SMILES notation for 3-(dimethylamino)butan-2-one;N,N',N'-trimethylacetohydrazide?
The canonical SMILES for 3-(dimethylamino)butan-2-one;N,N',N'-trimethylacetohydrazide is CC(=O)C(C)N(C)C.CC(=O)N(C)N(C)C.
What is the InChIKey of 3-(dimethylamino)butan-2-one;N,N',N'-trimethylacetohydrazide?
The InChIKey is GMLYPQUTJIYVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C5H12N2O/c1-5(6(2)8)7(3)4;1-5(8)7(4)6(2)3/h5H,1-4H3;1-4H3.
What are the key properties of 3-(dimethylamino)butan-2-one;N,N',N'-trimethylacetohydrazide?
3-(dimethylamino)butan-2-one;N,N',N'-trimethylacetohydrazide has a molecular weight of 231.34 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)butan-2-one;N,N',N'-trimethylacetohydrazide is sourced from PubChem (CID 158300790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).