3-methylbut-3-en-2-ylhydrazine

C5H12N2 — CID 55280952

IUPAC3-methylbut-3-en-2-ylhydrazine
SMILESC=C(C)C(C)NN
InChIInChI=1S/C5H12N2/c1-4(2)5(3)7-6/h5,7H,1,6H2,2-3H3
InChIKeyURUCDONIYASQSQ-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.41
Rot. Bonds2

About 3-methylbut-3-en-2-ylhydrazine

3-methylbut-3-en-2-ylhydrazine (PubChem CID 55280952) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is 3-methylbut-3-en-2-ylhydrazine.

Molecular Properties

Compound Name3-methylbut-3-en-2-ylhydrazine
PubChem CID55280952
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name3-methylbut-3-en-2-ylhydrazine
SMILESC=C(C)C(C)NN
InChIInChI=1S/C5H12N2/c1-4(2)5(3)7-6/h5,7H,1,6H2,2-3H3
InChIKeyURUCDONIYASQSQ-UHFFFAOYSA-N
XLogP0.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.41
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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Related Compounds

(2-Methylprop-2-en-1-yl)hydrazine
CID 16637058
4,5-Dimethylpyrazoline
CID 21059266
(But-3-en-2-yl)hydrazine
CID 20337531
(5,5,5-Trifluoro-2-methylpent-1-en-3-yl)hydrazine
CID 105206138
(1,1,1-Trifluoro-3-methylbut-3-en-2-yl)hydrazine
CID 105215823
(1,1-Difluoro-3-methylbut-3-en-2-yl)hydrazine
CID 105265234
2-(Trifluoromethyl)pent-1-en-3-ylhydrazine
CID 130565176
3-(Trifluoromethyl)but-3-en-2-ylhydrazine
CID 130565177
Pent-1-en-3-ylhydrazine
CID 55280954
1-Methyl-2-(2-methylprop-2-enyl)hydrazine
CID 58265608
3-Methyl-4-methylidenepyrazolidine
CID 58995820
2,4,5-Trimethyl-1,5-dihydropyrazole
CID 68377027

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-3-en-2-ylhydrazine?
The IUPAC name of 3-methylbut-3-en-2-ylhydrazine (CID 55280952) is 3-methylbut-3-en-2-ylhydrazine.
What is the SMILES notation for 3-methylbut-3-en-2-ylhydrazine?
The canonical SMILES for 3-methylbut-3-en-2-ylhydrazine is C=C(C)C(C)NN.
What is the InChIKey of 3-methylbut-3-en-2-ylhydrazine?
The InChIKey is URUCDONIYASQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-4(2)5(3)7-6/h5,7H,1,6H2,2-3H3.
What are the key properties of 3-methylbut-3-en-2-ylhydrazine?
3-methylbut-3-en-2-ylhydrazine has a molecular weight of 100.16 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-3-en-2-ylhydrazine is sourced from PubChem (CID 55280952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).