N'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide

C16H25N3O — CID 77034391

IUPACN'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide
SMILESCC1CCCC(N(CCC(N)=NO)c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-13-6-5-9-15(12-13)19(11-10-16(17)18-20)14-7-3-2-4-8-14/h2-4,7-8,13,15,20H,5-6,9-12H2,1H3,(H2,17,18)
InChIKeyXEDTVFGRUPIUMN-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.21
Rot. Bonds5

About N'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide

N'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide (PubChem CID 77034391) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide
PubChem CID77034391
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide
SMILESCC1CCCC(N(CCC(N)=NO)c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-13-6-5-9-15(12-13)19(11-10-16(17)18-20)14-7-3-2-4-8-14/h2-4,7-8,13,15,20H,5-6,9-12H2,1H3,(H2,17,18)
InChIKeyXEDTVFGRUPIUMN-UHFFFAOYSA-N
XLogP3.21
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.21
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 N'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide 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 N'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide (CID 77034391) is N'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide is CC1CCCC(N(CCC(N)=NO)c2ccccc2)C1.
What is the InChIKey of N'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide?
The InChIKey is XEDTVFGRUPIUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-6-5-9-15(12-13)19(11-10-16(17)18-20)14-7-3-2-4-8-14/h2-4,7-8,13,15,20H,5-6,9-12H2,1H3,(H2,17,18).
What are the key properties of N'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide?
N'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide has a molecular weight of 275.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(N-(3-methylcyclohexyl)anilino)propanimidamide is sourced from PubChem (CID 77034391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).