N'-hydroxy-2-[2-(hydroxymethyl)azepan-1-yl]ethanimidamide

C9H19N3O2 — CID 104891516

IUPACN'-hydroxy-2-[2-(hydroxymethyl)azepan-1-yl]ethanimidamide
SMILESNC(CN1CCCCCC1CO)=NO
InChIInChI=1S/C9H19N3O2/c10-9(11-14)6-12-5-3-1-2-4-8(12)7-13/h8,13-14H,1-7H2,(H2,10,11)
InChIKeyIHNBWSKNCXYCKZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.03
Rot. Bonds3

About N'-hydroxy-2-[2-(hydroxymethyl)azepan-1-yl]ethanimidamide

N'-hydroxy-2-[2-(hydroxymethyl)azepan-1-yl]ethanimidamide (PubChem CID 104891516) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(hydroxymethyl)azepan-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(hydroxymethyl)azepan-1-yl]ethanimidamide
PubChem CID104891516
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-2-[2-(hydroxymethyl)azepan-1-yl]ethanimidamide
SMILESNC(CN1CCCCCC1CO)=NO
InChIInChI=1S/C9H19N3O2/c10-9(11-14)6-12-5-3-1-2-4-8(12)7-13/h8,13-14H,1-7H2,(H2,10,11)
InChIKeyIHNBWSKNCXYCKZ-UHFFFAOYSA-N
XLogP-0.03
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.03
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 N'-hydroxy-2-[2-(hydroxymethyl)azepan-1-yl]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

3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)azepan-1-yl]methyl]propanimidamide
CID 103370223
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide
CID 24695208
N'-hydroxy-2-[2-(hydroxymethyl)piperidin-1-yl]ethanimidamide
CID 61406592
N'-hydroxy-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanimidamide
CID 76943932
N'-hydroxy-2-[(2-hydroxycycloheptyl)amino]propanimidamide
CID 104281300
N'-hydroxy-2-[(2-hydroxycycloheptyl)amino]ethanimidamide
CID 104281306
N'-hydroxy-2-[(2-hydroxycycloheptyl)amino]butanimidamide
CID 104281307
N'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]propanimidamide
CID 104891514
N'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]-2-methylpropanimidamide
CID 104891515
N'-hydroxy-4-[2-(hydroxymethyl)azepan-1-yl]butanimidamide
CID 104891517
N'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]butanimidamide
CID 104891518
N'-hydroxy-5-[2-(hydroxymethyl)azepan-1-yl]pentanimidamide
CID 104891519

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(hydroxymethyl)azepan-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[2-(hydroxymethyl)azepan-1-yl]ethanimidamide (CID 104891516) is N'-hydroxy-2-[2-(hydroxymethyl)azepan-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(hydroxymethyl)azepan-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-(hydroxymethyl)azepan-1-yl]ethanimidamide is NC(CN1CCCCCC1CO)=NO.
What is the InChIKey of N'-hydroxy-2-[2-(hydroxymethyl)azepan-1-yl]ethanimidamide?
The InChIKey is IHNBWSKNCXYCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-9(11-14)6-12-5-3-1-2-4-8(12)7-13/h8,13-14H,1-7H2,(H2,10,11).
What are the key properties of N'-hydroxy-2-[2-(hydroxymethyl)azepan-1-yl]ethanimidamide?
N'-hydroxy-2-[2-(hydroxymethyl)azepan-1-yl]ethanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(hydroxymethyl)azepan-1-yl]ethanimidamide is sourced from PubChem (CID 104891516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).