2-(2,6-dimethylphenoxy)pentanehydrazide

C13H20N2O2 — CID 54792907

IUPAC2-(2,6-dimethylphenoxy)pentanehydrazide
SMILESCCCC(Oc1c(C)cccc1C)C(=O)NN
InChIInChI=1S/C13H20N2O2/c1-4-6-11(13(16)15-14)17-12-9(2)7-5-8-10(12)3/h5,7-8,11H,4,6,14H2,1-3H3,(H,15,16)
InChIKeyAHMRBCDUKSFZDU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.84
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)pentanehydrazide

2-(2,6-dimethylphenoxy)pentanehydrazide (PubChem CID 54792907) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)pentanehydrazide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)pentanehydrazide
PubChem CID54792907
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(2,6-dimethylphenoxy)pentanehydrazide
SMILESCCCC(Oc1c(C)cccc1C)C(=O)NN
InChIInChI=1S/C13H20N2O2/c1-4-6-11(13(16)15-14)17-12-9(2)7-5-8-10(12)3/h5,7-8,11H,4,6,14H2,1-3H3,(H,15,16)
InChIKeyAHMRBCDUKSFZDU-UHFFFAOYSA-N
XLogP1.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2-(2-methyl-6-nitrophenoxy)pentanehydrazide
CID 83048033
ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate
CID 125470264
2-[2-(2-aminoethyl)-6-methylphenoxy]pentanoic acid
CID 112614810
2-(2-fluoro-6-nitrophenoxy)pentanehydrazide
CID 104832467
2-naphthalen-2-yloxypentanehydrazide
CID 54792972
2-(3-methylsulfonylphenoxy)pentanehydrazide
CID 83048030
2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide
CID 83047514
2-[2-(2-hydroxyethyl)phenoxy]pentanehydrazide
CID 107714182
2-(3,4-difluorophenoxy)pentanehydrazide
CID 83048019
2-[4-(trifluoromethyl)phenoxy]pentanehydrazide
CID 83047631
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide
CID 83047266
ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate
CID 112614882

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)pentanehydrazide?
The IUPAC name of 2-(2,6-dimethylphenoxy)pentanehydrazide (CID 54792907) is 2-(2,6-dimethylphenoxy)pentanehydrazide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)pentanehydrazide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)pentanehydrazide is CCCC(Oc1c(C)cccc1C)C(=O)NN.
What is the InChIKey of 2-(2,6-dimethylphenoxy)pentanehydrazide?
The InChIKey is AHMRBCDUKSFZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-6-11(13(16)15-14)17-12-9(2)7-5-8-10(12)3/h5,7-8,11H,4,6,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(2,6-dimethylphenoxy)pentanehydrazide?
2-(2,6-dimethylphenoxy)pentanehydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)pentanehydrazide is sourced from PubChem (CID 54792907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).