2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide

C10H22N4O2 — CID 63584441

IUPAC2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)CC(C)C(=O)NN
InChIInChI=1S/C10H22N4O2/c1-4-5-14(7-9(15)12-3)6-8(2)10(16)13-11/h8H,4-7,11H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyLBWOEPPEYBBHPF-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.93
Rot. Bonds7

About 2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide

2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide (PubChem CID 63584441) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide
PubChem CID63584441
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)CC(C)C(=O)NN
InChIInChI=1S/C10H22N4O2/c1-4-5-14(7-9(15)12-3)6-8(2)10(16)13-11/h8H,4-7,11H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyLBWOEPPEYBBHPF-UHFFFAOYSA-N
XLogP-0.93
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.93
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-[acetamido-(2-aminoacetyl)amino]-N-propylacetamide
CID 162650155
N1-isobutyl-N2-(4-methylpiperazin-1-yl)oxalamide
CID 45585733
N,2-dimethyl-N'-[2-(propan-2-ylamino)propanoyl]propanehydrazide
CID 20607867
2-acetamido-N-(1-hydrazinyl-1-oxopropan-2-yl)propanamide
CID 20655912
3-[2-[2-Aminoethyl-(3-hydrazinyl-3-oxopropyl)amino]ethylamino]propanehydrazide
CID 23136119
2-hydrazinyl-N-(2-methylpropyl)-2-oxoacetamide
CID 26365312
N-[1-[methyl-(2-methylpropylamino)amino]-1-oxopropan-2-yl]acetamide
CID 58806845
Trimethyl-[[2-(2-methylpropylamino)acetyl]amino]azanium
CID 59709226
N-[1-amino-3-(2-methylhydrazinyl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 59817353
N-ethyl-2-[(3-hydrazinyl-3-oxopropyl)-methylamino]acetamide
CID 63585696
2-(2-propanoylhydrazinyl)-N-propylacetamide
CID 87563910
3-[2-[2-[(3-Hydrazinyl-3-oxopropyl)amino]ethylamino]ethylamino]propanehydrazide
CID 87667146

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide (CID 63584441) is 2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)CC(C)C(=O)NN.
What is the InChIKey of 2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide?
The InChIKey is LBWOEPPEYBBHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-4-5-14(7-9(15)12-3)6-8(2)10(16)13-11/h8H,4-7,11H2,1-3H3,(H,12,15)(H,13,16).
What are the key properties of 2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide?
2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide has a molecular weight of 230.31 g/mol, XLogP of -0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide is sourced from PubChem (CID 63584441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).