4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide

C13H26N2O2 — CID 65251235

IUPAC4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCOC1CCCC(OC)C1
InChIInChI=1S/C13H26N2O2/c1-13(2,12(14)15)7-8-17-11-6-4-5-10(9-11)16-3/h10-11H,4-9H2,1-3H3,(H3,14,15)
InChIKeyOOVCQZQNGYEZHS-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.31
Rot. Bonds6

About 4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide

4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide (PubChem CID 65251235) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide
PubChem CID65251235
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCOC1CCCC(OC)C1
InChIInChI=1S/C13H26N2O2/c1-13(2,12(14)15)7-8-17-11-6-4-5-10(9-11)16-3/h10-11H,4-9H2,1-3H3,(H3,14,15)
InChIKeyOOVCQZQNGYEZHS-UHFFFAOYSA-N
XLogP2.31
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.31
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'}

Analyze 4-(3-methoxycyclohexyl)oxy-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-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide (CID 65251235) is 4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCOC1CCCC(OC)C1.
What is the InChIKey of 4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide?
The InChIKey is OOVCQZQNGYEZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,12(14)15)7-8-17-11-6-4-5-10(9-11)16-3/h10-11H,4-9H2,1-3H3,(H3,14,15).
What are the key properties of 4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide?
4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide has a molecular weight of 242.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65251235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).