[3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butyl]hydrazine

C11H20N2OS — CID 103025533

IUPAC[3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butyl]hydrazine
SMILESCOC(C)(C)CC(NN)c1ccsc1C
InChIInChI=1S/C11H20N2OS/c1-8-9(5-6-15-8)10(13-12)7-11(2,3)14-4/h5-6,10,13H,7,12H2,1-4H3
InChIKeyMHYMTAUZWCIJDC-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.38
Rot. Bonds5

About [3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butyl]hydrazine

[3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butyl]hydrazine (PubChem CID 103025533) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is [3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butyl]hydrazine.

Molecular Properties

Compound Name[3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butyl]hydrazine
PubChem CID103025533
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name[3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butyl]hydrazine
SMILESCOC(C)(C)CC(NN)c1ccsc1C
InChIInChI=1S/C11H20N2OS/c1-8-9(5-6-15-8)10(13-12)7-11(2,3)14-4/h5-6,10,13H,7,12H2,1-4H3
InChIKeyMHYMTAUZWCIJDC-UHFFFAOYSA-N
XLogP2.38
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.38
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 [3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butyl]hydrazine?
The IUPAC name of [3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butyl]hydrazine (CID 103025533) is [3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butyl]hydrazine.
What is the SMILES notation for [3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butyl]hydrazine?
The canonical SMILES for [3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butyl]hydrazine is COC(C)(C)CC(NN)c1ccsc1C.
What is the InChIKey of [3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butyl]hydrazine?
The InChIKey is MHYMTAUZWCIJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8-9(5-6-15-8)10(13-12)7-11(2,3)14-4/h5-6,10,13H,7,12H2,1-4H3.
What are the key properties of [3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butyl]hydrazine?
[3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butyl]hydrazine has a molecular weight of 228.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butyl]hydrazine is sourced from PubChem (CID 103025533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).