N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide

C15H25N3O3 — CID 44507916

IUPACN-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)N/N=C/C1=CCCCC1)NO
InChIInChI=1S/C15H25N3O3/c19-14(10-6-1-2-7-11-15(20)18-21)17-16-12-13-8-4-3-5-9-13/h8,12,21H,1-7,9-11H2,(H,17,19)(H,18,20)/b16-12+
InChIKeyMXPRQOCNJGKYLM-FOWTUZBSSA-N
MW295.38 g/mol
LogP2.43
Rot. Bonds9

About N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide

N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide (PubChem CID 44507916) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide
PubChem CID44507916
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)N/N=C/C1=CCCCC1)NO
InChIInChI=1S/C15H25N3O3/c19-14(10-6-1-2-7-11-15(20)18-21)17-16-12-13-8-4-3-5-9-13/h8,12,21H,1-7,9-11H2,(H,17,19)(H,18,20)/b16-12+
InChIKeyMXPRQOCNJGKYLM-FOWTUZBSSA-N
XLogP2.43
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyhexanediamide
CID 44506465
N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide
CID 44506967
N'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide
CID 44507345
N'-hydroxy-N-[(E)-[(Z)-2-methylbut-2-enylidene]amino]hexanediamide
CID 44507768
N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide
CID 44507865
N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyheptanediamide
CID 44507886
N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyoctanediamide
CID 44507898
N'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide
CID 44507909
N-[(E)-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]amino]-N'-hydroxyoctanediamide
CID 143727448

Frequently Asked Questions

What is the IUPAC name of N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide?
The IUPAC name of N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide (CID 44507916) is N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide is O=C(CCCCCCC(=O)N/N=C/C1=CCCCC1)NO.
What is the InChIKey of N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide?
The InChIKey is MXPRQOCNJGKYLM-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H25N3O3/c19-14(10-6-1-2-7-11-15(20)18-21)17-16-12-13-8-4-3-5-9-13/h8,12,21H,1-7,9-11H2,(H,17,19)(H,18,20)/b16-12+.
What are the key properties of N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide?
N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide has a molecular weight of 295.38 g/mol, XLogP of 2.43, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide is sourced from PubChem (CID 44507916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).