N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]butanimidamide

C11H23N3O2 — CID 77050226

IUPACN'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]butanimidamide
SMILESCC(CC(N)=NO)NCC1CCCCC1O
InChIInChI=1S/C11H23N3O2/c1-8(6-11(12)14-16)13-7-9-4-2-3-5-10(9)15/h8-10,13,15-16H,2-7H2,1H3,(H2,12,14)
InChIKeyXHUOWUBVLIZUAT-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.65
Rot. Bonds5

About N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]butanimidamide

N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]butanimidamide (PubChem CID 77050226) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]butanimidamide
PubChem CID77050226
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]butanimidamide
SMILESCC(CC(N)=NO)NCC1CCCCC1O
InChIInChI=1S/C11H23N3O2/c1-8(6-11(12)14-16)13-7-9-4-2-3-5-10(9)15/h8-10,13,15-16H,2-7H2,1H3,(H2,12,14)
InChIKeyXHUOWUBVLIZUAT-UHFFFAOYSA-N
XLogP0.65
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.65
H-Bond Donors ≤ 54
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'}

Analyze N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]butanimidamide 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-[(2-hydroxycyclohexyl)methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]butanimidamide (CID 77050226) is N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]butanimidamide is CC(CC(N)=NO)NCC1CCCCC1O.
What is the InChIKey of N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]butanimidamide?
The InChIKey is XHUOWUBVLIZUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8(6-11(12)14-16)13-7-9-4-2-3-5-10(9)15/h8-10,13,15-16H,2-7H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]butanimidamide?
N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]butanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]butanimidamide is sourced from PubChem (CID 77050226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).