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

C13H27N3O2 — CID 77062104

IUPAC4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNCCOC1CCCC1)C(N)=NO
InChIInChI=1S/C13H27N3O2/c1-13(2,12(14)16-17)7-8-15-9-10-18-11-5-3-4-6-11/h11,15,17H,3-10H2,1-2H3,(H2,14,16)
InChIKeyKSYJIKOCFBVWJT-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.70
Rot. Bonds8

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

4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062104) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062104
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNCCOC1CCCC1)C(N)=NO
InChIInChI=1S/C13H27N3O2/c1-13(2,12(14)16-17)7-8-15-9-10-18-11-5-3-4-6-11/h11,15,17H,3-10H2,1-2H3,(H2,14,16)
InChIKeyKSYJIKOCFBVWJT-UHFFFAOYSA-N
XLogP1.70
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104864449
4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77072429
5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106011988
N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide
CID 104762047
N'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide
CID 106711830
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
N'-hydroxy-2,2-dimethyl-5-(oxetan-3-yloxy)pentanimidamide
CID 102606477
1-(2-cyclopentyloxyethylamino)-2-methylpropan-2-ol
CID 63826434
N-(2-cyclopentyloxyethyl)-2,2-dimethylpropan-1-amine
CID 63001166
5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063177
N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide
CID 114130997
4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062652

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062104) is 4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide is CC(C)(CCNCCOC1CCCC1)C(N)=NO.
What is the InChIKey of 4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is KSYJIKOCFBVWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(2,12(14)16-17)7-8-15-9-10-18-11-5-3-4-6-11/h11,15,17H,3-10H2,1-2H3,(H2,14,16).
What are the key properties of 4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).