3-methylbut-3-enylhydrazine

C5H12N2 — CID 105220819

IUPAC3-methylbut-3-enylhydrazine
SMILESC=C(C)CCNN
InChIInChI=1S/C5H12N2/c1-5(2)3-4-7-6/h7H,1,3-4,6H2,2H3
InChIKeyAVIGXWOXRKUWCU-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.42
Rot. Bonds3

About 3-methylbut-3-enylhydrazine

3-methylbut-3-enylhydrazine (PubChem CID 105220819) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is 3-methylbut-3-enylhydrazine.

Molecular Properties

Compound Name3-methylbut-3-enylhydrazine
PubChem CID105220819
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name3-methylbut-3-enylhydrazine
SMILESC=C(C)CCNN
InChIInChI=1S/C5H12N2/c1-5(2)3-4-7-6/h7H,1,3-4,6H2,2H3
InChIKeyAVIGXWOXRKUWCU-UHFFFAOYSA-N
XLogP0.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-methylbut-3-enylhydrazine?
The IUPAC name of 3-methylbut-3-enylhydrazine (CID 105220819) is 3-methylbut-3-enylhydrazine.
What is the SMILES notation for 3-methylbut-3-enylhydrazine?
The canonical SMILES for 3-methylbut-3-enylhydrazine is C=C(C)CCNN.
What is the InChIKey of 3-methylbut-3-enylhydrazine?
The InChIKey is AVIGXWOXRKUWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-5(2)3-4-7-6/h7H,1,3-4,6H2,2H3.
What are the key properties of 3-methylbut-3-enylhydrazine?
3-methylbut-3-enylhydrazine has a molecular weight of 100.16 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-3-enylhydrazine is sourced from PubChem (CID 105220819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).