4-[methyl(oxan-4-yl)amino]butanehydrazide

C10H21N3O2 — CID 63572569

IUPAC4-[methyl(oxan-4-yl)amino]butanehydrazide
SMILESCN(CCCC(=O)NN)C1CCOCC1
InChIInChI=1S/C10H21N3O2/c1-13(6-2-3-10(14)12-11)9-4-7-15-8-5-9/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyBOIHAPWKNRUFTD-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.13
Rot. Bonds5

About 4-[methyl(oxan-4-yl)amino]butanehydrazide

4-[methyl(oxan-4-yl)amino]butanehydrazide (PubChem CID 63572569) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-[methyl(oxan-4-yl)amino]butanehydrazide.

Molecular Properties

Compound Name4-[methyl(oxan-4-yl)amino]butanehydrazide
PubChem CID63572569
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name4-[methyl(oxan-4-yl)amino]butanehydrazide
SMILESCN(CCCC(=O)NN)C1CCOCC1
InChIInChI=1S/C10H21N3O2/c1-13(6-2-3-10(14)12-11)9-4-7-15-8-5-9/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyBOIHAPWKNRUFTD-UHFFFAOYSA-N
XLogP-0.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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-[methyl(oxan-4-yl)amino]butanehydrazide?
The IUPAC name of 4-[methyl(oxan-4-yl)amino]butanehydrazide (CID 63572569) is 4-[methyl(oxan-4-yl)amino]butanehydrazide.
What is the SMILES notation for 4-[methyl(oxan-4-yl)amino]butanehydrazide?
The canonical SMILES for 4-[methyl(oxan-4-yl)amino]butanehydrazide is CN(CCCC(=O)NN)C1CCOCC1.
What is the InChIKey of 4-[methyl(oxan-4-yl)amino]butanehydrazide?
The InChIKey is BOIHAPWKNRUFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-13(6-2-3-10(14)12-11)9-4-7-15-8-5-9/h9H,2-8,11H2,1H3,(H,12,14).
What are the key properties of 4-[methyl(oxan-4-yl)amino]butanehydrazide?
4-[methyl(oxan-4-yl)amino]butanehydrazide has a molecular weight of 215.30 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxan-4-yl)amino]butanehydrazide is sourced from PubChem (CID 63572569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).