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

C13H26N2O3 — CID 77062455

IUPACN'-hydroxy-4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide
SMILESCOC1CCCC(OCCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C13H26N2O3/c1-13(2,12(14)15-16)7-8-18-11-6-4-5-10(9-11)17-3/h10-11,16H,4-9H2,1-3H3,(H2,14,15)
InChIKeyAIOQRXHEECIVSW-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.12
Rot. Bonds6

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

N'-hydroxy-4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide (PubChem CID 77062455) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N'-hydroxy-4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide
PubChem CID77062455
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN'-hydroxy-4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide
SMILESCOC1CCCC(OCCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C13H26N2O3/c1-13(2,12(14)15-16)7-8-18-11-6-4-5-10(9-11)17-3/h10-11,16H,4-9H2,1-3H3,(H2,14,15)
InChIKeyAIOQRXHEECIVSW-UHFFFAOYSA-N
XLogP2.12
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide (CID 77062455) is N'-hydroxy-4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide is COC1CCCC(OCCC(C)(C)C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide?
The InChIKey is AIOQRXHEECIVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(2,12(14)15-16)7-8-18-11-6-4-5-10(9-11)17-3/h10-11,16H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide?
N'-hydroxy-4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide has a molecular weight of 258.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).