N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide

C14H21N3O2 — CID 114629959

IUPACN'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide
SMILESCC1(C)C(O)CC1NCc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C14H21N3O2/c1-14(2)11(7-12(14)18)16-8-9-4-3-5-10(6-9)13(15)17-19/h3-6,11-12,16,18-19H,7-8H2,1-2H3,(H2,15,17)
InChIKeyUCSANEDJJZDYOW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.03
Rot. Bonds4

About N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide

N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide (PubChem CID 114629959) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide
PubChem CID114629959
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide
SMILESCC1(C)C(O)CC1NCc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C14H21N3O2/c1-14(2)11(7-12(14)18)16-8-9-4-3-5-10(6-9)13(15)17-19/h3-6,11-12,16,18-19H,7-8H2,1-2H3,(H2,15,17)
InChIKeyUCSANEDJJZDYOW-UHFFFAOYSA-N
XLogP1.03
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.03
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-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide 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-fluoro-N'-hydroxy-4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide
CID 114629968
2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol
CID 112633293
N'-hydroxy-3-[(oxolan-3-ylamino)methyl]benzenecarboximidamide
CID 80713948
3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77075368
N'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide
CID 106136286
3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77109740
N'-hydroxy-3-(propylaminomethyl)benzenecarboximidamide
CID 77028524
2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol
CID 112634022
4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77031859
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclobutanecarboxamide
CID 76932795
3-[(2,2-dimethylpropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032714
3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114628998

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide (CID 114629959) is N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide is CC1(C)C(O)CC1NCc1cccc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide?
The InChIKey is UCSANEDJJZDYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2)11(7-12(14)18)16-8-9-4-3-5-10(6-9)13(15)17-19/h3-6,11-12,16,18-19H,7-8H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide?
N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 114629959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).