4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide

C13H25N3O — CID 106177113

IUPAC4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNCCC1=CCCC1)C(N)=NO
InChIInChI=1S/C13H25N3O/c1-13(2,12(14)16-17)8-10-15-9-7-11-5-3-4-6-11/h5,15,17H,3-4,6-10H2,1-2H3,(H2,14,16)
InChIKeyABEGFVSZGPBXTQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.24
Rot. Bonds7

About 4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide

4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 106177113) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID106177113
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNCCC1=CCCC1)C(N)=NO
InChIInChI=1S/C13H25N3O/c1-13(2,12(14)16-17)8-10-15-9-7-11-5-3-4-6-11/h5,15,17H,3-4,6-10H2,1-2H3,(H2,14,16)
InChIKeyABEGFVSZGPBXTQ-UHFFFAOYSA-N
XLogP2.24
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.24
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide
CID 77062131
5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide
CID 77029656
5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile
CID 106174040
N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine
CID 103096944
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77072429
N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine
CID 106173944
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
(2S)-1-[2-(cyclopenten-1-yl)ethylamino]propan-2-ol
CID 106174090
2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine
CID 106173187

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide (CID 106177113) is 4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide is CC(C)(CCNCCC1=CCCC1)C(N)=NO.
What is the InChIKey of 4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is ABEGFVSZGPBXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2,12(14)16-17)8-10-15-9-7-11-5-3-4-6-11/h5,15,17H,3-4,6-10H2,1-2H3,(H2,14,16).
What are the key properties of 4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide?
4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 239.36 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 106177113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).