2-(3,4-dimethylcyclohexyl)oxybutanehydrazide

C12H24N2O2 — CID 64739542

IUPAC2-(3,4-dimethylcyclohexyl)oxybutanehydrazide
SMILESCCC(OC1CCC(C)C(C)C1)C(=O)NN
InChIInChI=1S/C12H24N2O2/c1-4-11(12(15)14-13)16-10-6-5-8(2)9(3)7-10/h8-11H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyRFPLWEBRJKMKEH-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.60
Rot. Bonds4

About 2-(3,4-dimethylcyclohexyl)oxybutanehydrazide

2-(3,4-dimethylcyclohexyl)oxybutanehydrazide (PubChem CID 64739542) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxybutanehydrazide.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxybutanehydrazide
PubChem CID64739542
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(3,4-dimethylcyclohexyl)oxybutanehydrazide
SMILESCCC(OC1CCC(C)C(C)C1)C(=O)NN
InChIInChI=1S/C12H24N2O2/c1-4-11(12(15)14-13)16-10-6-5-8(2)9(3)7-10/h8-11H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyRFPLWEBRJKMKEH-UHFFFAOYSA-N
XLogP1.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.60
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxybutanehydrazide?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxybutanehydrazide (CID 64739542) is 2-(3,4-dimethylcyclohexyl)oxybutanehydrazide.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxybutanehydrazide?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxybutanehydrazide is CCC(OC1CCC(C)C(C)C1)C(=O)NN.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxybutanehydrazide?
The InChIKey is RFPLWEBRJKMKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-11(12(15)14-13)16-10-6-5-8(2)9(3)7-10/h8-11H,4-7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxybutanehydrazide?
2-(3,4-dimethylcyclohexyl)oxybutanehydrazide has a molecular weight of 228.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxybutanehydrazide is sourced from PubChem (CID 64739542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).