pentan-3-ylidenehydrazine

C5H12N2 — CID 12546267

IUPACpentan-3-ylidenehydrazine
SMILESCCC(CC)=NN
InChIInChI=1S/C5H12N2/c1-3-5(4-2)7-6/h3-4,6H2,1-2H3
InChIKeyHBRSNALVNREPIB-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.12
Rot. Bonds2

About pentan-3-ylidenehydrazine

pentan-3-ylidenehydrazine (PubChem CID 12546267) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is pentan-3-ylidenehydrazine.

Molecular Properties

Compound Namepentan-3-ylidenehydrazine
PubChem CID12546267
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Namepentan-3-ylidenehydrazine
SMILESCCC(CC)=NN
InChIInChI=1S/C5H12N2/c1-3-5(4-2)7-6/h3-4,6H2,1-2H3
InChIKeyHBRSNALVNREPIB-UHFFFAOYSA-N
XLogP1.12
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze pentan-3-ylidenehydrazine 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 pentan-3-ylidenehydrazine?
The IUPAC name of pentan-3-ylidenehydrazine (CID 12546267) is pentan-3-ylidenehydrazine.
What is the SMILES notation for pentan-3-ylidenehydrazine?
The canonical SMILES for pentan-3-ylidenehydrazine is CCC(CC)=NN.
What is the InChIKey of pentan-3-ylidenehydrazine?
The InChIKey is HBRSNALVNREPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-3-5(4-2)7-6/h3-4,6H2,1-2H3.
What are the key properties of pentan-3-ylidenehydrazine?
pentan-3-ylidenehydrazine has a molecular weight of 100.16 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-ylidenehydrazine is sourced from PubChem (CID 12546267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).