N'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide

C11H23N3O2 — CID 77056852

IUPACN'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide
SMILESCC1(C)CCC(O)(CNCC(N)=NO)CC1
InChIInChI=1S/C11H23N3O2/c1-10(2)3-5-11(15,6-4-10)8-13-7-9(12)14-16/h13,15-16H,3-8H2,1-2H3,(H2,12,14)
InChIKeyAQKKSFKTDBJBBO-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.65
Rot. Bonds4

About N'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide

N'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide (PubChem CID 77056852) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide
PubChem CID77056852
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide
SMILESCC1(C)CCC(O)(CNCC(N)=NO)CC1
InChIInChI=1S/C11H23N3O2/c1-10(2)3-5-11(15,6-4-10)8-13-7-9(12)14-16/h13,15-16H,3-8H2,1-2H3,(H2,12,14)
InChIKeyAQKKSFKTDBJBBO-UHFFFAOYSA-N
XLogP0.65
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
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'}

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Related Compounds

N'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide
CID 77056758
1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 107006902
1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65117143
4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol
CID 65087135
2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide
CID 65120899
N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide
CID 77056872
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide
CID 65120371
4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol
CID 65117177
1-[(2-aminoethylamino)methyl]cyclopropan-1-ol
CID 84648106
N'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide
CID 107413577
2-[[(2Z)-2-amino-2-hydroxyiminoethyl]amino]-N'-hydroxyethanimidamide;2-(cyanomethylamino)acetonitrile
CID 157354439
1-[[(2-chlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115350

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide (CID 77056852) is N'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide is CC1(C)CCC(O)(CNCC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide?
The InChIKey is AQKKSFKTDBJBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-10(2)3-5-11(15,6-4-10)8-13-7-9(12)14-16/h13,15-16H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide?
N'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide is sourced from PubChem (CID 77056852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).