N'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide

C15H23N3O — CID 61446172

IUPACN'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
SMILESCC1CCCC(N(C)c2ccc(C(N)=NO)cc2)C1
InChIInChI=1S/C15H23N3O/c1-11-4-3-5-14(10-11)18(2)13-8-6-12(7-9-13)15(16)17-19/h6-9,11,14,19H,3-5,10H2,1-2H3,(H2,16,17)
InChIKeyREWIKKXHIVJALU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.80
Rot. Bonds3

About N'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide

N'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide (PubChem CID 61446172) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
PubChem CID61446172
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
SMILESCC1CCCC(N(C)c2ccc(C(N)=NO)cc2)C1
InChIInChI=1S/C15H23N3O/c1-11-4-3-5-14(10-11)18(2)13-8-6-12(7-9-13)15(16)17-19/h6-9,11,14,19H,3-5,10H2,1-2H3,(H2,16,17)
InChIKeyREWIKKXHIVJALU-UHFFFAOYSA-N
XLogP2.80
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.80
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-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide (CID 61446172) is N'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide is CC1CCCC(N(C)c2ccc(C(N)=NO)cc2)C1.
What is the InChIKey of N'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide?
The InChIKey is REWIKKXHIVJALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-4-3-5-14(10-11)18(2)13-8-6-12(7-9-13)15(16)17-19/h6-9,11,14,19H,3-5,10H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide?
N'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide is sourced from PubChem (CID 61446172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).