N,N-diethyl-2-[(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-methylamino]acetamide

C12H26N4O2 — CID 79630687

IUPACN,N-diethyl-2-[(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)CC(C)(C)C(=O)NN
InChIInChI=1S/C12H26N4O2/c1-6-16(7-2)10(17)8-15(5)9-12(3,4)11(18)14-13/h6-9,13H2,1-5H3,(H,14,18)
InChIKeyQDFYTFIVURITIF-UHFFFAOYSA-N
MW258.37 g/mol
LogP-0.20
Rot. Bonds7

About N,N-diethyl-2-[(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-methylamino]acetamide

N,N-diethyl-2-[(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-methylamino]acetamide (PubChem CID 79630687) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N,N-diethyl-2-[(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-methylamino]acetamide
PubChem CID79630687
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC NameN,N-diethyl-2-[(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)CC(C)(C)C(=O)NN
InChIInChI=1S/C12H26N4O2/c1-6-16(7-2)10(17)8-15(5)9-12(3,4)11(18)14-13/h6-9,13H2,1-5H3,(H,14,18)
InChIKeyQDFYTFIVURITIF-UHFFFAOYSA-N
XLogP-0.20
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-0.20
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

3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide
CID 79626659
3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide
CID 79626181
N,N-diethyl-2-[methyl(propyl)amino]acetamide
CID 135175911
2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide
CID 79038170
2-[ethyl(methyl)amino]-2-methylpropanehydrazide
CID 130636692
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanehydrazide
CID 79631822
N-[2-(diethylamino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 60707989
N,N-diethyl-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62332611
N-(2-aminoethyl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 54946952
3-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpropanehydrazide
CID 79630779
2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide
CID 61453098
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide
CID 79626351

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-methylamino]acetamide (CID 79630687) is N,N-diethyl-2-[(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-methylamino]acetamide is CCN(CC)C(=O)CN(C)CC(C)(C)C(=O)NN.
What is the InChIKey of N,N-diethyl-2-[(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-methylamino]acetamide?
The InChIKey is QDFYTFIVURITIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-6-16(7-2)10(17)8-15(5)9-12(3,4)11(18)14-13/h6-9,13H2,1-5H3,(H,14,18).
What are the key properties of N,N-diethyl-2-[(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-methylamino]acetamide?
N,N-diethyl-2-[(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-methylamino]acetamide has a molecular weight of 258.37 g/mol, XLogP of -0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-methylamino]acetamide is sourced from PubChem (CID 79630687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).