oxan-4-ylmethylhydrazine

C6H14N2O — CID 53415127

IUPACoxan-4-ylmethylhydrazine
SMILESNNCC1CCOCC1
InChIInChI=1S/C6H14N2O/c7-8-5-6-1-3-9-4-2-6/h6,8H,1-5,7H2
InChIKeyGHNAAIHHJRCQOA-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.12
Rot. Bonds2

About oxan-4-ylmethylhydrazine

oxan-4-ylmethylhydrazine (PubChem CID 53415127) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is oxan-4-ylmethylhydrazine.

Molecular Properties

Compound Nameoxan-4-ylmethylhydrazine
PubChem CID53415127
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Nameoxan-4-ylmethylhydrazine
SMILESNNCC1CCOCC1
InChIInChI=1S/C6H14N2O/c7-8-5-6-1-3-9-4-2-6/h6,8H,1-5,7H2
InChIKeyGHNAAIHHJRCQOA-UHFFFAOYSA-N
XLogP-0.12
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.12
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 oxan-4-ylmethylhydrazine?
The IUPAC name of oxan-4-ylmethylhydrazine (CID 53415127) is oxan-4-ylmethylhydrazine.
What is the SMILES notation for oxan-4-ylmethylhydrazine?
The canonical SMILES for oxan-4-ylmethylhydrazine is NNCC1CCOCC1.
What is the InChIKey of oxan-4-ylmethylhydrazine?
The InChIKey is GHNAAIHHJRCQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c7-8-5-6-1-3-9-4-2-6/h6,8H,1-5,7H2.
What are the key properties of oxan-4-ylmethylhydrazine?
oxan-4-ylmethylhydrazine has a molecular weight of 130.19 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethylhydrazine is sourced from PubChem (CID 53415127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).