3-methylbutan-2-ylidenehydrazine

C5H12N2 — CID 54150248

IUPAC3-methylbutan-2-ylidenehydrazine
SMILESCC(=NN)C(C)C
InChIInChI=1S/C5H12N2/c1-4(2)5(3)7-6/h4H,6H2,1-3H3
InChIKeyYSYJXCYULHQEBQ-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.98
Rot. Bonds1

About 3-methylbutan-2-ylidenehydrazine

3-methylbutan-2-ylidenehydrazine (PubChem CID 54150248) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is 3-methylbutan-2-ylidenehydrazine.

Molecular Properties

Compound Name3-methylbutan-2-ylidenehydrazine
PubChem CID54150248
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name3-methylbutan-2-ylidenehydrazine
SMILESCC(=NN)C(C)C
InChIInChI=1S/C5H12N2/c1-4(2)5(3)7-6/h4H,6H2,1-3H3
InChIKeyYSYJXCYULHQEBQ-UHFFFAOYSA-N
XLogP0.98
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.98
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-ylidenehydrazine?
The IUPAC name of 3-methylbutan-2-ylidenehydrazine (CID 54150248) is 3-methylbutan-2-ylidenehydrazine.
What is the SMILES notation for 3-methylbutan-2-ylidenehydrazine?
The canonical SMILES for 3-methylbutan-2-ylidenehydrazine is CC(=NN)C(C)C.
What is the InChIKey of 3-methylbutan-2-ylidenehydrazine?
The InChIKey is YSYJXCYULHQEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-4(2)5(3)7-6/h4H,6H2,1-3H3.
What are the key properties of 3-methylbutan-2-ylidenehydrazine?
3-methylbutan-2-ylidenehydrazine has a molecular weight of 100.16 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-ylidenehydrazine is sourced from PubChem (CID 54150248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).