2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide

C9H20N4O2 — CID 63574231

IUPAC2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(C)CCC(=O)NN
InChIInChI=1S/C9H20N4O2/c1-7(4-5-8(14)12-10)13(3)6-9(15)11-2/h7H,4-6,10H2,1-3H3,(H,11,15)(H,12,14)
InChIKeyGAXRLCTVIBYXNI-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.18
Rot. Bonds6

About 2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide

2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide (PubChem CID 63574231) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide
PubChem CID63574231
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(C)CCC(=O)NN
InChIInChI=1S/C9H20N4O2/c1-7(4-5-8(14)12-10)13(3)6-9(15)11-2/h7H,4-6,10H2,1-3H3,(H,11,15)(H,12,14)
InChIKeyGAXRLCTVIBYXNI-UHFFFAOYSA-N
XLogP-1.18
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
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

2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 63585709
2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide
CID 131227452
N-methyl-2-[methyl(propan-2-yl)amino]acetamide
CID 89311183
2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide
CID 60913837
2-[1-methoxypropan-2-yl(methyl)amino]acetohydrazide
CID 63585055
4-[cyclohexylmethyl(methyl)amino]pentanehydrazide
CID 63577696
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide
CID 105418482
2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 43216485
4-[(4-chlorophenyl)methyl-methylamino]pentanehydrazide
CID 63578763
4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide
CID 63579697
2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide
CID 63577903
ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate
CID 82836304

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide (CID 63574231) is 2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide is CNC(=O)CN(C)C(C)CCC(=O)NN.
What is the InChIKey of 2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide?
The InChIKey is GAXRLCTVIBYXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-7(4-5-8(14)12-10)13(3)6-9(15)11-2/h7H,4-6,10H2,1-3H3,(H,11,15)(H,12,14).
What are the key properties of 2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide?
2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide has a molecular weight of 216.28 g/mol, XLogP of -1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 63574231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).