1-ethoxybut-3-yn-2-ylhydrazine

C6H12N2O — CID 105235282

IUPAC1-ethoxybut-3-yn-2-ylhydrazine
SMILESC#CC(COCC)NN
InChIInChI=1S/C6H12N2O/c1-3-6(8-7)5-9-4-2/h1,6,8H,4-5,7H2,2H3
InChIKeyHDXAPCAOCALSDD-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.51
Rot. Bonds4

About 1-ethoxybut-3-yn-2-ylhydrazine

1-ethoxybut-3-yn-2-ylhydrazine (PubChem CID 105235282) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 1-ethoxybut-3-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-ethoxybut-3-yn-2-ylhydrazine
PubChem CID105235282
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name1-ethoxybut-3-yn-2-ylhydrazine
SMILESC#CC(COCC)NN
InChIInChI=1S/C6H12N2O/c1-3-6(8-7)5-9-4-2/h1,6,8H,4-5,7H2,2H3
InChIKeyHDXAPCAOCALSDD-UHFFFAOYSA-N
XLogP-0.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethoxypropan-2-yl)hex-1-yn-3-amine
CID 107234206
(1-ethoxy-3-methylbutan-2-yl)hydrazine
CID 105199529
1-butan-2-ylsulfanylbut-3-yn-2-ylhydrazine
CID 105227129
(2S)-2-(ethoxymethyl)but-3-ynoic acid
CID 118348661
[1-ethoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105321343
(1-ethoxy-4-methylpent-3-en-2-yl)hydrazine
CID 105235434
4-(2-ethoxyethoxy)-3-methylbut-1-yne
CID 140970677
(1-ethoxy-4-propoxybutan-2-yl)hydrazine
CID 105321228
(1-ethoxy-4-ethyloctan-2-yl)hydrazine
CID 105235252
3-ethoxy-N-pent-1-yn-3-ylpropanamide
CID 103579230
1-propoxypent-4-yn-2-ylhydrazine
CID 105210039
(3-cyclopropyl-1-ethoxybutan-2-yl)hydrazine
CID 105321199

Frequently Asked Questions

What is the IUPAC name of 1-ethoxybut-3-yn-2-ylhydrazine?
The IUPAC name of 1-ethoxybut-3-yn-2-ylhydrazine (CID 105235282) is 1-ethoxybut-3-yn-2-ylhydrazine.
What is the SMILES notation for 1-ethoxybut-3-yn-2-ylhydrazine?
The canonical SMILES for 1-ethoxybut-3-yn-2-ylhydrazine is C#CC(COCC)NN.
What is the InChIKey of 1-ethoxybut-3-yn-2-ylhydrazine?
The InChIKey is HDXAPCAOCALSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-6(8-7)5-9-4-2/h1,6,8H,4-5,7H2,2H3.
What are the key properties of 1-ethoxybut-3-yn-2-ylhydrazine?
1-ethoxybut-3-yn-2-ylhydrazine has a molecular weight of 128.18 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxybut-3-yn-2-ylhydrazine is sourced from PubChem (CID 105235282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).