[4-methoxy-1-(2-methoxy-3-pyridinyl)-2-methylbutyl]hydrazine

C12H21N3O2 — CID 105337951

IUPAC[4-methoxy-1-(2-methoxy-3-pyridinyl)-2-methylbutyl]hydrazine
SMILESCOCCC(C)C(NN)c1cccnc1OC
InChIInChI=1S/C12H21N3O2/c1-9(6-8-16-2)11(15-13)10-5-4-7-14-12(10)17-3/h4-5,7,9,11,15H,6,8,13H2,1-3H3
InChIKeyUSOQLCHQKNRJCE-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.27
Rot. Bonds7

About [4-methoxy-1-(2-methoxy-3-pyridinyl)-2-methylbutyl]hydrazine

[4-methoxy-1-(2-methoxy-3-pyridinyl)-2-methylbutyl]hydrazine (PubChem CID 105337951) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [4-methoxy-1-(2-methoxy-3-pyridinyl)-2-methylbutyl]hydrazine.

Molecular Properties

Compound Name[4-methoxy-1-(2-methoxy-3-pyridinyl)-2-methylbutyl]hydrazine
PubChem CID105337951
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name[4-methoxy-1-(2-methoxy-3-pyridinyl)-2-methylbutyl]hydrazine
SMILESCOCCC(C)C(NN)c1cccnc1OC
InChIInChI=1S/C12H21N3O2/c1-9(6-8-16-2)11(15-13)10-5-4-7-14-12(10)17-3/h4-5,7,9,11,15H,6,8,13H2,1-3H3
InChIKeyUSOQLCHQKNRJCE-UHFFFAOYSA-N
XLogP1.27
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [4-methoxy-1-(2-methoxy-3-pyridinyl)-2-methylbutyl]hydrazine?
The IUPAC name of [4-methoxy-1-(2-methoxy-3-pyridinyl)-2-methylbutyl]hydrazine (CID 105337951) is [4-methoxy-1-(2-methoxy-3-pyridinyl)-2-methylbutyl]hydrazine.
What is the SMILES notation for [4-methoxy-1-(2-methoxy-3-pyridinyl)-2-methylbutyl]hydrazine?
The canonical SMILES for [4-methoxy-1-(2-methoxy-3-pyridinyl)-2-methylbutyl]hydrazine is COCCC(C)C(NN)c1cccnc1OC.
What is the InChIKey of [4-methoxy-1-(2-methoxy-3-pyridinyl)-2-methylbutyl]hydrazine?
The InChIKey is USOQLCHQKNRJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(6-8-16-2)11(15-13)10-5-4-7-14-12(10)17-3/h4-5,7,9,11,15H,6,8,13H2,1-3H3.
What are the key properties of [4-methoxy-1-(2-methoxy-3-pyridinyl)-2-methylbutyl]hydrazine?
[4-methoxy-1-(2-methoxy-3-pyridinyl)-2-methylbutyl]hydrazine has a molecular weight of 239.32 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(2-methoxy-3-pyridinyl)-2-methylbutyl]hydrazine is sourced from PubChem (CID 105337951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).