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

C14H23N3O3 — CID 44507886

IUPACN-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyheptanediamide
SMILESO=C(CCCCCC(=O)N/N=C/C1=CCCCC1)NO
InChIInChI=1S/C14H23N3O3/c18-13(9-5-2-6-10-14(19)17-20)16-15-11-12-7-3-1-4-8-12/h7,11,20H,1-6,8-10H2,(H,16,18)(H,17,19)/b15-11+
InChIKeyKCQNWCMGROBTNK-RVDMUPIBSA-N
MW281.36 g/mol
LogP2.04
Rot. Bonds8

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

N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyheptanediamide (PubChem CID 44507886) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyheptanediamide.

Molecular Properties

Compound NameN-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyheptanediamide
PubChem CID44507886
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyheptanediamide
SMILESO=C(CCCCCC(=O)N/N=C/C1=CCCCC1)NO
InChIInChI=1S/C14H23N3O3/c18-13(9-5-2-6-10-14(19)17-20)16-15-11-12-7-3-1-4-8-12/h7,11,20H,1-6,8-10H2,(H,16,18)(H,17,19)/b15-11+
InChIKeyKCQNWCMGROBTNK-RVDMUPIBSA-N
XLogP2.04
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.04
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-[(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)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyoctanediamide
CID 44507898
N'-hydroxy-N-[(E)-pent-4-enylideneamino]octanediamide
CID 44507909
N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide
CID 44507916
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'-hydroxyheptanediamide?
The IUPAC name of N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyheptanediamide (CID 44507886) is N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyheptanediamide.
What is the SMILES notation for N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyheptanediamide?
The canonical SMILES for N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyheptanediamide is O=C(CCCCCC(=O)N/N=C/C1=CCCCC1)NO.
What is the InChIKey of N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyheptanediamide?
The InChIKey is KCQNWCMGROBTNK-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H23N3O3/c18-13(9-5-2-6-10-14(19)17-20)16-15-11-12-7-3-1-4-8-12/h7,11,20H,1-6,8-10H2,(H,16,18)(H,17,19)/b15-11+.
What are the key properties of N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyheptanediamide?
N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyheptanediamide has a molecular weight of 281.36 g/mol, XLogP of 2.04, 8 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'-hydroxyheptanediamide is sourced from PubChem (CID 44507886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).