2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide

C11H23N3O2 — CID 76915096

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(CCO)C1CCCCC1
InChIInChI=1S/C11H23N3O2/c1-9(11(12)13-16)14(7-8-15)10-5-3-2-4-6-10/h9-10,15-16H,2-8H2,1H3,(H2,12,13)
InChIKeySSILJFYEMVRKQP-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.75
Rot. Bonds5

About 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide

2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76915096) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID76915096
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(CCO)C1CCCCC1
InChIInChI=1S/C11H23N3O2/c1-9(11(12)13-16)14(7-8-15)10-5-3-2-4-6-10/h9-10,15-16H,2-8H2,1H3,(H2,12,13)
InChIKeySSILJFYEMVRKQP-UHFFFAOYSA-N
XLogP0.75
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.75
H-Bond Donors ≤ 53
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 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide 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 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide (CID 76915096) is 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide is CC(C(N)=NO)N(CCO)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is SSILJFYEMVRKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(11(12)13-16)14(7-8-15)10-5-3-2-4-6-10/h9-10,15-16H,2-8H2,1H3,(H2,12,13).
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76915096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).