5-(cyclohex-3-en-1-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide

C13H25N3O — CID 77075432

IUPAC5-(cyclohex-3-en-1-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCNC1CC=CCC1)C(N)=NO
InChIInChI=1S/C13H25N3O/c1-13(2,12(14)16-17)9-6-10-15-11-7-4-3-5-8-11/h3-4,11,15,17H,5-10H2,1-2H3,(H2,14,16)
InChIKeyYKPJGYDSYAFRSS-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.24
Rot. Bonds6

About 5-(cyclohex-3-en-1-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(cyclohex-3-en-1-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77075432) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-(cyclohex-3-en-1-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(cyclohex-3-en-1-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77075432
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-(cyclohex-3-en-1-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCNC1CC=CCC1)C(N)=NO
InChIInChI=1S/C13H25N3O/c1-13(2,12(14)16-17)9-6-10-15-11-7-4-3-5-8-11/h3-4,11,15,17H,5-10H2,1-2H3,(H2,14,16)
InChIKeyYKPJGYDSYAFRSS-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
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

4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062652
N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide
CID 106711687
4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062138
N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide
CID 104937631
5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063648
5-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063323
5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106011988
N'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide
CID 77063981
5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104931144
N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide
CID 77063607
6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711286
N'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide
CID 77063559

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohex-3-en-1-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(cyclohex-3-en-1-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77075432) is 5-(cyclohex-3-en-1-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(cyclohex-3-en-1-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(cyclohex-3-en-1-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide is CC(C)(CCCNC1CC=CCC1)C(N)=NO.
What is the InChIKey of 5-(cyclohex-3-en-1-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is YKPJGYDSYAFRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2,12(14)16-17)9-6-10-15-11-7-4-3-5-8-11/h3-4,11,15,17H,5-10H2,1-2H3,(H2,14,16).
What are the key properties of 5-(cyclohex-3-en-1-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(cyclohex-3-en-1-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 239.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohex-3-en-1-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77075432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).