4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide

C12H25N3O — CID 104864449

IUPAC4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNCCC1CCC1)C(N)=NO
InChIInChI=1S/C12H25N3O/c1-12(2,11(13)15-16)7-9-14-8-6-10-4-3-5-10/h10,14,16H,3-9H2,1-2H3,(H2,13,15)
InChIKeyJSVGEPVJBXDRKS-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.93
Rot. Bonds7

About 4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 104864449) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID104864449
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNCCC1CCC1)C(N)=NO
InChIInChI=1S/C12H25N3O/c1-12(2,11(13)15-16)7-9-14-8-6-10-4-3-5-10/h10,14,16H,3-9H2,1-2H3,(H2,13,15)
InChIKeyJSVGEPVJBXDRKS-UHFFFAOYSA-N
XLogP1.93
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide 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

4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77072429
4-(cyclopentylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062172
5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106011988
N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide
CID 77063815
N'-hydroxy-2,2-dimethyl-6-[2-(4-methylcyclohexyl)ethylamino]hexanimidamide
CID 106711176
N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide
CID 114130997
4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062104
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104871369
4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062652
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
4-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062372

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 104864449) is 4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide is CC(C)(CCNCCC1CCC1)C(N)=NO.
What is the InChIKey of 4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is JSVGEPVJBXDRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,11(13)15-16)7-9-14-8-6-10-4-3-5-10/h10,14,16H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 104864449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).