N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide

C14H20N2O2 — CID 43188242

IUPACN'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide
SMILESCC1CCC(Oc2ccc(/C(N)=N/O)cc2)CC1
InChIInChI=1S/C14H20N2O2/c1-10-2-6-12(7-3-10)18-13-8-4-11(5-9-13)14(15)16-17/h4-5,8-10,12,17H,2-3,6-7H2,1H3,(H2,15,16)
InChIKeyDNWZSFNTDCDRFY-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.74
Rot. Bonds3

About N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide

N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide (PubChem CID 43188242) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide
PubChem CID43188242
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide
SMILESCC1CCC(Oc2ccc(/C(N)=N/O)cc2)CC1
InChIInChI=1S/C14H20N2O2/c1-10-2-6-12(7-3-10)18-13-8-4-11(5-9-13)14(15)16-17/h4-5,8-10,12,17H,2-3,6-7H2,1H3,(H2,15,16)
InChIKeyDNWZSFNTDCDRFY-UHFFFAOYSA-N
XLogP2.74
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.74
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide (CID 43188242) is N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide is CC1CCC(Oc2ccc(/C(N)=N/O)cc2)CC1.
What is the InChIKey of N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide?
The InChIKey is DNWZSFNTDCDRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-2-6-12(7-3-10)18-13-8-4-11(5-9-13)14(15)16-17/h4-5,8-10,12,17H,2-3,6-7H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide?
N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide has a molecular weight of 248.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 43188242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).