4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-2,2-dimethylbutanimidamide

C14H28N2O2 — CID 77062338

IUPAC4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC1CC(C)CC(OCCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C14H28N2O2/c1-10-7-11(2)9-12(8-10)18-6-5-14(3,4)13(15)16-17/h10-12,17H,5-9H2,1-4H3,(H2,15,16)
InChIKeyXZNORRDLVZXXJN-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.99
Rot. Bonds5

About 4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-2,2-dimethylbutanimidamide

4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062338) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062338
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC1CC(C)CC(OCCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C14H28N2O2/c1-10-7-11(2)9-12(8-10)18-6-5-14(3,4)13(15)16-17/h10-12,17H,5-9H2,1-4H3,(H2,15,16)
InChIKeyXZNORRDLVZXXJN-UHFFFAOYSA-N
XLogP2.99
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-2,2-dimethylbutanimidamide 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 4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062338) is 4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-2,2-dimethylbutanimidamide is CC1CC(C)CC(OCCC(C)(C)C(N)=NO)C1.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is XZNORRDLVZXXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10-7-11(2)9-12(8-10)18-6-5-14(3,4)13(15)16-17/h10-12,17H,5-9H2,1-4H3,(H2,15,16).
What are the key properties of 4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 256.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).