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

C13H21N3O3 — CID 44506465

IUPACN-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyhexanediamide
SMILESO=C(CCCCC(=O)N/N=C/C1=CCCCC1)NO
InChIInChI=1S/C13H21N3O3/c17-12(8-4-5-9-13(18)16-19)15-14-10-11-6-2-1-3-7-11/h6,10,19H,1-5,7-9H2,(H,15,17)(H,16,18)/b14-10+
InChIKeyLXMVUPJBBWPYMF-GXDHUFHOSA-N
MW267.33 g/mol
LogP1.65
Rot. Bonds7

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

N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyhexanediamide (PubChem CID 44506465) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyhexanediamide.

Molecular Properties

Compound NameN-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyhexanediamide
PubChem CID44506465
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyhexanediamide
SMILESO=C(CCCCC(=O)N/N=C/C1=CCCCC1)NO
InChIInChI=1S/C13H21N3O3/c17-12(8-4-5-9-13(18)16-19)15-14-10-11-6-2-1-3-7-11/h6,10,19H,1-5,7-9H2,(H,15,17)(H,16,18)/b14-10+
InChIKeyLXMVUPJBBWPYMF-GXDHUFHOSA-N
XLogP1.65
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.65
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)-[(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-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide
CID 44507761
N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide
CID 44507762
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)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide
CID 44507916
N-[(E)-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]amino]-N'-hydroxyoctanediamide
CID 143727448
2-ethyl-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanamide;N-hydroxyformamide
CID 144020525

Frequently Asked Questions

What is the IUPAC name of N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyhexanediamide?
The IUPAC name of N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyhexanediamide (CID 44506465) is N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyhexanediamide.
What is the SMILES notation for N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyhexanediamide?
The canonical SMILES for N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyhexanediamide is O=C(CCCCC(=O)N/N=C/C1=CCCCC1)NO.
What is the InChIKey of N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyhexanediamide?
The InChIKey is LXMVUPJBBWPYMF-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H21N3O3/c17-12(8-4-5-9-13(18)16-19)15-14-10-11-6-2-1-3-7-11/h6,10,19H,1-5,7-9H2,(H,15,17)(H,16,18)/b14-10+.
What are the key properties of N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyhexanediamide?
N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyhexanediamide has a molecular weight of 267.33 g/mol, XLogP of 1.65, 7 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'-hydroxyhexanediamide is sourced from PubChem (CID 44506465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).