4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide

C13H25N3O — CID 77062652

IUPAC4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNCC1CC=CCC1)C(N)=NO
InChIInChI=1S/C13H25N3O/c1-13(2,12(14)16-17)8-9-15-10-11-6-4-3-5-7-11/h3-4,11,15,17H,5-10H2,1-2H3,(H2,14,16)
InChIKeyRKULTLGXFNZGCL-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.10
Rot. Bonds6

About 4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062652) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062652
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNCC1CC=CCC1)C(N)=NO
InChIInChI=1S/C13H25N3O/c1-13(2,12(14)16-17)8-9-15-10-11-6-4-3-5-7-11/h3-4,11,15,17H,5-10H2,1-2H3,(H2,14,16)
InChIKeyRKULTLGXFNZGCL-UHFFFAOYSA-N
XLogP2.10
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062652) is 4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide is CC(C)(CCNCC1CC=CCC1)C(N)=NO.
What is the InChIKey of 4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is RKULTLGXFNZGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2,12(14)16-17)8-9-15-10-11-6-4-3-5-7-11/h3-4,11,15,17H,5-10H2,1-2H3,(H2,14,16).
What are the key properties of 4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 239.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).