N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide

C12H25N3O2 — CID 77056872

IUPACN'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide
SMILESCC1CCC(O)(CNCC(C)C(N)=NO)CC1
InChIInChI=1S/C12H25N3O2/c1-9-3-5-12(16,6-4-9)8-14-7-10(2)11(13)15-17/h9-10,14,16-17H,3-8H2,1-2H3,(H2,13,15)
InChIKeyVGQDIFLVZCMOCT-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.90
Rot. Bonds5

About N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide

N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide (PubChem CID 77056872) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide
PubChem CID77056872
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide
SMILESCC1CCC(O)(CNCC(C)C(N)=NO)CC1
InChIInChI=1S/C12H25N3O2/c1-9-3-5-12(16,6-4-9)8-14-7-10(2)11(13)15-17/h9-10,14,16-17H,3-8H2,1-2H3,(H2,13,15)
InChIKeyVGQDIFLVZCMOCT-UHFFFAOYSA-N
XLogP0.90
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.90
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-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide
CID 65116289
1-(ethylaminomethyl)-4-methylcyclohexan-1-ol
CID 21302977
1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115828
4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol
CID 79040662
4-methyl-1-(propylaminomethyl)cyclohexan-1-ol
CID 62775285
(1-hydroxy-4-methylcyclohexyl)methylurea
CID 65121718
3-(but-3-ynylamino)-N'-hydroxy-2-methylpropanimidamide
CID 77027860
N'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide
CID 77028700
1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 114223847
1-[(2-methylpropylamino)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62773562
N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide
CID 77050193
1-hydroxy-4-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112573807

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide (CID 77056872) is N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide is CC1CCC(O)(CNCC(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide?
The InChIKey is VGQDIFLVZCMOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9-3-5-12(16,6-4-9)8-14-7-10(2)11(13)15-17/h9-10,14,16-17H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide?
N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide has a molecular weight of 243.35 g/mol, XLogP of 0.90, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide is sourced from PubChem (CID 77056872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).