N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide

C12H25N3O2 — CID 107404798

IUPACN'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide
SMILESCCC(CC(N)=NO)N1CCCC(C)(O)CC1
InChIInChI=1S/C12H25N3O2/c1-3-10(9-11(13)14-17)15-7-4-5-12(2,16)6-8-15/h10,16-17H,3-9H2,1-2H3,(H2,13,14)
InChIKeySASKAEBZTKCBJD-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.14
Rot. Bonds4

About N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide

N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide (PubChem CID 107404798) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide
PubChem CID107404798
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide
SMILESCCC(CC(N)=NO)N1CCCC(C)(O)CC1
InChIInChI=1S/C12H25N3O2/c1-3-10(9-11(13)14-17)15-7-4-5-12(2,16)6-8-15/h10,16-17H,3-9H2,1-2H3,(H2,13,14)
InChIKeySASKAEBZTKCBJD-UHFFFAOYSA-N
XLogP1.14
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.14
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-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide 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-[(4-hydroxy-4-methylazepan-1-yl)methyl]propanimidamide
CID 107404777
N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropanimidamide
CID 107404776
N'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylhexanimidamide
CID 107404779
N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)butanimidamide
CID 107404781
N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylbutanimidamide
CID 107404785
N'-hydroxy-2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide
CID 107404787
N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide
CID 107404791
N'-hydroxy-2-[1-[(4-hydroxy-4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide
CID 107404792
N'-hydroxy-2-(4-hydroxy-4-methylazepan-1-yl)butanimidamide
CID 107404795
N'-hydroxy-5-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylpentanimidamide
CID 107404796
N'-hydroxy-2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide
CID 107404797
N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide
CID 107404800

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide (CID 107404798) is N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide is CCC(CC(N)=NO)N1CCCC(C)(O)CC1.
What is the InChIKey of N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide?
The InChIKey is SASKAEBZTKCBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-10(9-11(13)14-17)15-7-4-5-12(2,16)6-8-15/h10,16-17H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide?
N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide is sourced from PubChem (CID 107404798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).