N-(3-hydrazinyl-3-oxopropyl)-2,2-dimethylpropanamide

C8H17N3O2 — CID 43244708

IUPACN-(3-hydrazinyl-3-oxopropyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NN
InChIInChI=1S/C8H17N3O2/c1-8(2,3)7(13)10-5-4-6(12)11-9/h4-5,9H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyVSAFIEIKQHEDAB-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.47
Rot. Bonds3

About N-(3-hydrazinyl-3-oxopropyl)-2,2-dimethylpropanamide

N-(3-hydrazinyl-3-oxopropyl)-2,2-dimethylpropanamide (PubChem CID 43244708) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(3-hydrazinyl-3-oxopropyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-hydrazinyl-3-oxopropyl)-2,2-dimethylpropanamide
PubChem CID43244708
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN-(3-hydrazinyl-3-oxopropyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NN
InChIInChI=1S/C8H17N3O2/c1-8(2,3)7(13)10-5-4-6(12)11-9/h4-5,9H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyVSAFIEIKQHEDAB-UHFFFAOYSA-N
XLogP-0.47
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-(3-hydrazinyl-3-oxopropyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-hydrazinyl-3-oxopropyl)-2,2-dimethylpropanamide (CID 43244708) is N-(3-hydrazinyl-3-oxopropyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-hydrazinyl-3-oxopropyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-hydrazinyl-3-oxopropyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC(=O)NN.
What is the InChIKey of N-(3-hydrazinyl-3-oxopropyl)-2,2-dimethylpropanamide?
The InChIKey is VSAFIEIKQHEDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-8(2,3)7(13)10-5-4-6(12)11-9/h4-5,9H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of N-(3-hydrazinyl-3-oxopropyl)-2,2-dimethylpropanamide?
N-(3-hydrazinyl-3-oxopropyl)-2,2-dimethylpropanamide has a molecular weight of 187.24 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydrazinyl-3-oxopropyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 43244708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).