[1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine

C11H18N2S — CID 105319474

IUPAC[1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine
SMILESC=C(C)CC(NN)c1ccc(CC)s1
InChIInChI=1S/C11H18N2S/c1-4-9-5-6-11(14-9)10(13-12)7-8(2)3/h5-6,10,13H,2,4,7,12H2,1,3H3
InChIKeyNIOIHEPVQYJEAO-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.78
Rot. Bonds5

About [1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine

[1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine (PubChem CID 105319474) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is [1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine.

Molecular Properties

Compound Name[1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine
PubChem CID105319474
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name[1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine
SMILESC=C(C)CC(NN)c1ccc(CC)s1
InChIInChI=1S/C11H18N2S/c1-4-9-5-6-11(14-9)10(13-12)7-8(2)3/h5-6,10,13H,2,4,7,12H2,1,3H3
InChIKeyNIOIHEPVQYJEAO-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[1-(5-ethylthiophen-2-yl)-4-methylpent-4-enyl]hydrazine
CID 105335800
(1R)-1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine
CID 171211755
1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine
CID 105004261
[1-(5-ethylthiophen-2-yl)-3-methylpentyl]hydrazine
CID 105298469
[1-(5-ethylthiophen-2-yl)-3-methylbutyl]hydrazine
CID 105282687
[2-(4-ethylphenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105287843
[1-(5-ethylthiophen-2-yl)-5-methylhexyl]hydrazine
CID 105331221
1-(5-ethylthiophen-2-yl)undecylhydrazine
CID 105298310
1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039697
[1-(5-chlorothiophen-2-yl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105296380
N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 62344671
[1-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105284996

Frequently Asked Questions

What is the IUPAC name of [1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine?
The IUPAC name of [1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine (CID 105319474) is [1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine.
What is the SMILES notation for [1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine?
The canonical SMILES for [1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine is C=C(C)CC(NN)c1ccc(CC)s1.
What is the InChIKey of [1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine?
The InChIKey is NIOIHEPVQYJEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-4-9-5-6-11(14-9)10(13-12)7-8(2)3/h5-6,10,13H,2,4,7,12H2,1,3H3.
What are the key properties of [1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine?
[1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine has a molecular weight of 210.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine is sourced from PubChem (CID 105319474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).