2-bromo-N'-(2-methylpropyl)-N'-(2-oxoethyl)acetohydrazide;1,2-dimethyl-1-(2-methylpropyl)hydrazine

C14H31BrN4O2 — CID 142215971

IUPAC2-bromo-N'-(2-methylpropyl)-N'-(2-oxoethyl)acetohydrazide;1,2-dimethyl-1-(2-methylpropyl)hydrazine
SMILESCC(C)CN(CC=O)NC(=O)CBr.CNN(C)CC(C)C
InChIInChI=1S/C8H15BrN2O2.C6H16N2/c1-7(2)6-11(3-4-12)10-8(13)5-9;1-6(2)5-8(4)7-3/h4,7H,3,5-6H2,1-2H3,(H,10,13);6-7H,5H2,1-4H3
InChIKeyLVNYFTOWYVRZFI-UHFFFAOYSA-N
MW367.33 g/mol
LogP1.28
Rot. Bonds9

About 2-bromo-N'-(2-methylpropyl)-N'-(2-oxoethyl)acetohydrazide;1,2-dimethyl-1-(2-methylpropyl)hydrazine

2-bromo-N'-(2-methylpropyl)-N'-(2-oxoethyl)acetohydrazide;1,2-dimethyl-1-(2-methylpropyl)hydrazine (PubChem CID 142215971) has the molecular formula C14H31BrN4O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is 2-bromo-N'-(2-methylpropyl)-N'-(2-oxoethyl)acetohydrazide;1,2-dimethyl-1-(2-methylpropyl)hydrazine.

Molecular Properties

Compound Name2-bromo-N'-(2-methylpropyl)-N'-(2-oxoethyl)acetohydrazide;1,2-dimethyl-1-(2-methylpropyl)hydrazine
PubChem CID142215971
Molecular FormulaC14H31BrN4O2
Molecular Weight367.33 g/mol
Exact Mass366.16
IUPAC Name2-bromo-N'-(2-methylpropyl)-N'-(2-oxoethyl)acetohydrazide;1,2-dimethyl-1-(2-methylpropyl)hydrazine
SMILESCC(C)CN(CC=O)NC(=O)CBr.CNN(C)CC(C)C
InChIInChI=1S/C8H15BrN2O2.C6H16N2/c1-7(2)6-11(3-4-12)10-8(13)5-9;1-6(2)5-8(4)7-3/h4,7H,3,5-6H2,1-2H3,(H,10,13);6-7H,5H2,1-4H3
InChIKeyLVNYFTOWYVRZFI-UHFFFAOYSA-N
XLogP1.28
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 2-bromo-N'-(2-methylpropyl)-N'-(2-oxoethyl)acetohydrazide;1,2-dimethyl-1-(2-methylpropyl)hydrazine?
The IUPAC name of 2-bromo-N'-(2-methylpropyl)-N'-(2-oxoethyl)acetohydrazide;1,2-dimethyl-1-(2-methylpropyl)hydrazine (CID 142215971) is 2-bromo-N'-(2-methylpropyl)-N'-(2-oxoethyl)acetohydrazide;1,2-dimethyl-1-(2-methylpropyl)hydrazine.
What is the SMILES notation for 2-bromo-N'-(2-methylpropyl)-N'-(2-oxoethyl)acetohydrazide;1,2-dimethyl-1-(2-methylpropyl)hydrazine?
The canonical SMILES for 2-bromo-N'-(2-methylpropyl)-N'-(2-oxoethyl)acetohydrazide;1,2-dimethyl-1-(2-methylpropyl)hydrazine is CC(C)CN(CC=O)NC(=O)CBr.CNN(C)CC(C)C.
What is the InChIKey of 2-bromo-N'-(2-methylpropyl)-N'-(2-oxoethyl)acetohydrazide;1,2-dimethyl-1-(2-methylpropyl)hydrazine?
The InChIKey is LVNYFTOWYVRZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN2O2.C6H16N2/c1-7(2)6-11(3-4-12)10-8(13)5-9;1-6(2)5-8(4)7-3/h4,7H,3,5-6H2,1-2H3,(H,10,13);6-7H,5H2,1-4H3.
What are the key properties of 2-bromo-N'-(2-methylpropyl)-N'-(2-oxoethyl)acetohydrazide;1,2-dimethyl-1-(2-methylpropyl)hydrazine?
2-bromo-N'-(2-methylpropyl)-N'-(2-oxoethyl)acetohydrazide;1,2-dimethyl-1-(2-methylpropyl)hydrazine has a molecular weight of 367.33 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-(2-methylpropyl)-N'-(2-oxoethyl)acetohydrazide;1,2-dimethyl-1-(2-methylpropyl)hydrazine is sourced from PubChem (CID 142215971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).