3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide

C13H21N3O — CID 77052059

IUPAC3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCc1ccccc1CNCC(C)C(N)=NO
InChIInChI=1S/C13H21N3O/c1-3-11-6-4-5-7-12(11)9-15-8-10(2)13(14)16-17/h4-7,10,15,17H,3,8-9H2,1-2H3,(H2,14,16)
InChIKeyKCGNUGYKDZAZBE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.72
Rot. Bonds6

About 3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide

3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77052059) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID77052059
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCc1ccccc1CNCC(C)C(N)=NO
InChIInChI=1S/C13H21N3O/c1-3-11-6-4-5-7-12(11)9-15-8-10(2)13(14)16-17/h4-7,10,15,17H,3,8-9H2,1-2H3,(H2,14,16)
InChIKeyKCGNUGYKDZAZBE-UHFFFAOYSA-N
XLogP1.72
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N'-hydroxy-2-methyl-3-[(2-methylphenyl)methylamino]propanimidamide
CID 77028415
3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77025752
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 112670019
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide
CID 76952952
3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77025358
3-[(2-ethylphenyl)methylamino]-N'-hydroxybutanimidamide
CID 77052068
2-[(2-ethylphenyl)methylamino]acetamide
CID 62392428
methyl 3-[(2-hydroxyphenyl)methylamino]-2-methylpropanoate
CID 114332021
5-[(2-ethylphenyl)methylamino]pentan-2-ol
CID 106122637
3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 77044130
methyl 3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 43398429
methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 93035184

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide (CID 77052059) is 3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide is CCc1ccccc1CNCC(C)C(N)=NO.
What is the InChIKey of 3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is KCGNUGYKDZAZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-11-6-4-5-7-12(11)9-15-8-10(2)13(14)16-17/h4-7,10,15,17H,3,8-9H2,1-2H3,(H2,14,16).
What are the key properties of 3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 235.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77052059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).