[2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine

C13H22N2OS — CID 103170881

IUPAC[2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine
SMILESCCOC1CC(CC(NN)c2ccsc2C)C1
InChIInChI=1S/C13H22N2OS/c1-3-16-11-6-10(7-11)8-13(15-14)12-4-5-17-9(12)2/h4-5,10-11,13,15H,3,6-8,14H2,1-2H3
InChIKeyTZBZMFNCAKAADD-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.77
Rot. Bonds6

About [2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine

[2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine (PubChem CID 103170881) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine
PubChem CID103170881
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine
SMILESCCOC1CC(CC(NN)c2ccsc2C)C1
InChIInChI=1S/C13H22N2OS/c1-3-16-11-6-10(7-11)8-13(15-14)12-4-5-17-9(12)2/h4-5,10-11,13,15H,3,6-8,14H2,1-2H3
InChIKeyTZBZMFNCAKAADD-UHFFFAOYSA-N
XLogP2.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine (CID 103170881) is [2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine is CCOC1CC(CC(NN)c2ccsc2C)C1.
What is the InChIKey of [2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine?
The InChIKey is TZBZMFNCAKAADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-16-11-6-10(7-11)8-13(15-14)12-4-5-17-9(12)2/h4-5,10-11,13,15H,3,6-8,14H2,1-2H3.
What are the key properties of [2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine?
[2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine has a molecular weight of 254.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine is sourced from PubChem (CID 103170881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).