N'-hexylacetohydrazide

C8H18N2O — CID 15210594

IUPACN'-hexylacetohydrazide
SMILESCCCCCCNNC(C)=O
InChIInChI=1S/C8H18N2O/c1-3-4-5-6-7-9-10-8(2)11/h9H,3-7H2,1-2H3,(H,10,11)
InChIKeyXKYRVCJQADWQBH-UHFFFAOYSA-N
MW158.25 g/mol
LogP1.21
Rot. Bonds6

About N'-hexylacetohydrazide

N'-hexylacetohydrazide (PubChem CID 15210594) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N'-hexylacetohydrazide.

Molecular Properties

Compound NameN'-hexylacetohydrazide
PubChem CID15210594
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN'-hexylacetohydrazide
SMILESCCCCCCNNC(C)=O
InChIInChI=1S/C8H18N2O/c1-3-4-5-6-7-9-10-8(2)11/h9H,3-7H2,1-2H3,(H,10,11)
InChIKeyXKYRVCJQADWQBH-UHFFFAOYSA-N
XLogP1.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-hexylacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hexylacetohydrazide?
The IUPAC name of N'-hexylacetohydrazide (CID 15210594) is N'-hexylacetohydrazide.
What is the SMILES notation for N'-hexylacetohydrazide?
The canonical SMILES for N'-hexylacetohydrazide is CCCCCCNNC(C)=O.
What is the InChIKey of N'-hexylacetohydrazide?
The InChIKey is XKYRVCJQADWQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-4-5-6-7-9-10-8(2)11/h9H,3-7H2,1-2H3,(H,10,11).
What are the key properties of N'-hexylacetohydrazide?
N'-hexylacetohydrazide has a molecular weight of 158.25 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexylacetohydrazide is sourced from PubChem (CID 15210594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).