3-methoxybutylhydrazine

C5H14N2O — CID 87096241

IUPAC3-methoxybutylhydrazine
SMILESCOC(C)CCNN
InChIInChI=1S/C5H14N2O/c1-5(8-2)3-4-7-6/h5,7H,3-4,6H2,1-2H3
InChIKeyNLJHQSADHXYQTK-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.13
Rot. Bonds4

About 3-methoxybutylhydrazine

3-methoxybutylhydrazine (PubChem CID 87096241) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 3-methoxybutylhydrazine.

Molecular Properties

Compound Name3-methoxybutylhydrazine
PubChem CID87096241
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name3-methoxybutylhydrazine
SMILESCOC(C)CCNN
InChIInChI=1S/C5H14N2O/c1-5(8-2)3-4-7-6/h5,7H,3-4,6H2,1-2H3
InChIKeyNLJHQSADHXYQTK-UHFFFAOYSA-N
XLogP-0.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.13
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxybutylhydrazine?
The IUPAC name of 3-methoxybutylhydrazine (CID 87096241) is 3-methoxybutylhydrazine.
What is the SMILES notation for 3-methoxybutylhydrazine?
The canonical SMILES for 3-methoxybutylhydrazine is COC(C)CCNN.
What is the InChIKey of 3-methoxybutylhydrazine?
The InChIKey is NLJHQSADHXYQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-5(8-2)3-4-7-6/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 3-methoxybutylhydrazine?
3-methoxybutylhydrazine has a molecular weight of 118.18 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybutylhydrazine is sourced from PubChem (CID 87096241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).