oxan-4-ylmethylhydrazine;dihydrochloride

C6H16Cl2N2O — CID 54594050

IUPACoxan-4-ylmethylhydrazine;dihydrochloride
SMILESCl.Cl.NNCC1CCOCC1
InChIInChI=1S/C6H14N2O.2ClH/c7-8-5-6-1-3-9-4-2-6;;/h6,8H,1-5,7H2;2*1H
InChIKeyNIEBLDGMZQPDKD-UHFFFAOYSA-N
MW203.11 g/mol
LogP0.72
Rot. Bonds2

About oxan-4-ylmethylhydrazine;dihydrochloride

oxan-4-ylmethylhydrazine;dihydrochloride (PubChem CID 54594050) has the molecular formula C6H16Cl2N2O and a molecular weight of 203.11 g/mol. Its IUPAC name is oxan-4-ylmethylhydrazine;dihydrochloride.

Molecular Properties

Compound Nameoxan-4-ylmethylhydrazine;dihydrochloride
PubChem CID54594050
Molecular FormulaC6H16Cl2N2O
Molecular Weight203.11 g/mol
Exact Mass202.06
IUPAC Nameoxan-4-ylmethylhydrazine;dihydrochloride
SMILESCl.Cl.NNCC1CCOCC1
InChIInChI=1S/C6H14N2O.2ClH/c7-8-5-6-1-3-9-4-2-6;;/h6,8H,1-5,7H2;2*1H
InChIKeyNIEBLDGMZQPDKD-UHFFFAOYSA-N
XLogP0.72
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 50.72
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'}

Analyze oxan-4-ylmethylhydrazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethylhydrazine;dihydrochloride?
The IUPAC name of oxan-4-ylmethylhydrazine;dihydrochloride (CID 54594050) is oxan-4-ylmethylhydrazine;dihydrochloride.
What is the SMILES notation for oxan-4-ylmethylhydrazine;dihydrochloride?
The canonical SMILES for oxan-4-ylmethylhydrazine;dihydrochloride is Cl.Cl.NNCC1CCOCC1.
What is the InChIKey of oxan-4-ylmethylhydrazine;dihydrochloride?
The InChIKey is NIEBLDGMZQPDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.2ClH/c7-8-5-6-1-3-9-4-2-6;;/h6,8H,1-5,7H2;2*1H.
What are the key properties of oxan-4-ylmethylhydrazine;dihydrochloride?
oxan-4-ylmethylhydrazine;dihydrochloride has a molecular weight of 203.11 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethylhydrazine;dihydrochloride is sourced from PubChem (CID 54594050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).