N'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide

C9H19N3O2 — CID 106136396

IUPACN'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide
SMILESNC(CNCC1CCC(O)CC1)=NO
InChIInChI=1S/C9H19N3O2/c10-9(12-14)6-11-5-7-1-3-8(13)4-2-7/h7-8,11,13-14H,1-6H2,(H2,10,12)
InChIKeyHJBHBNUOWVIGNB-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.13
Rot. Bonds4

About N'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide

N'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide (PubChem CID 106136396) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide
PubChem CID106136396
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide
SMILESNC(CNCC1CCC(O)CC1)=NO
InChIInChI=1S/C9H19N3O2/c10-9(12-14)6-11-5-7-1-3-8(13)4-2-7/h7-8,11,13-14H,1-6H2,(H2,10,12)
InChIKeyHJBHBNUOWVIGNB-UHFFFAOYSA-N
XLogP-0.13
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.13
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-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide 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

N'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide
CID 107413577
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide
CID 77026751
N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide
CID 106136308
1-[(4-hydroxycyclohexyl)methyl]-2-methylguanidine
CID 106136649
2-[(4-ethylcyclohexyl)amino]-N'-hydroxyethanimidamide
CID 77030799
4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol
CID 106133697
N'-hydroxy-3-[(3-hydroxycyclohexyl)methylamino]propanimidamide
CID 106136346
2-[(2-amino-2-hydroxyiminoethyl)amino]acetamide
CID 77027895
1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone
CID 106133822
2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide
CID 106133332
N'-hydroxy-2-(propylamino)ethanimidamide
CID 60711995
2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106133433

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide (CID 106136396) is N'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide is NC(CNCC1CCC(O)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide?
The InChIKey is HJBHBNUOWVIGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-9(12-14)6-11-5-7-1-3-8(13)4-2-7/h7-8,11,13-14H,1-6H2,(H2,10,12).
What are the key properties of N'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide?
N'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide is sourced from PubChem (CID 106136396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).