N'-(2-methylpropyl)acetohydrazide

C6H14N2O — CID 11040733

IUPACN'-(2-methylpropyl)acetohydrazide
SMILESCC(=O)NNCC(C)C
InChIInChI=1S/C6H14N2O/c1-5(2)4-7-8-6(3)9/h5,7H,4H2,1-3H3,(H,8,9)
InChIKeyMCBNACCMKWNGMH-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.28
Rot. Bonds3

About N'-(2-methylpropyl)acetohydrazide

N'-(2-methylpropyl)acetohydrazide (PubChem CID 11040733) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is N'-(2-methylpropyl)acetohydrazide.

Molecular Properties

Compound NameN'-(2-methylpropyl)acetohydrazide
PubChem CID11040733
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameN'-(2-methylpropyl)acetohydrazide
SMILESCC(=O)NNCC(C)C
InChIInChI=1S/C6H14N2O/c1-5(2)4-7-8-6(3)9/h5,7H,4H2,1-3H3,(H,8,9)
InChIKeyMCBNACCMKWNGMH-UHFFFAOYSA-N
XLogP0.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)acetohydrazide?
The IUPAC name of N'-(2-methylpropyl)acetohydrazide (CID 11040733) is N'-(2-methylpropyl)acetohydrazide.
What is the SMILES notation for N'-(2-methylpropyl)acetohydrazide?
The canonical SMILES for N'-(2-methylpropyl)acetohydrazide is CC(=O)NNCC(C)C.
What is the InChIKey of N'-(2-methylpropyl)acetohydrazide?
The InChIKey is MCBNACCMKWNGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5(2)4-7-8-6(3)9/h5,7H,4H2,1-3H3,(H,8,9).
What are the key properties of N'-(2-methylpropyl)acetohydrazide?
N'-(2-methylpropyl)acetohydrazide has a molecular weight of 130.19 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)acetohydrazide is sourced from PubChem (CID 11040733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).