cyclohexanone;N-cyclohexylidenehydroxylamine;hexanamide

C18H34N2O3 — CID 160555328

IUPACcyclohexanone;N-cyclohexylidenehydroxylamine;hexanamide
SMILESCCCCCC(N)=O.O=C1CCCCC1.ON=C1CCCCC1
InChIInChI=1S/C6H11NO.C6H13NO.C6H10O/c8-7-6-4-2-1-3-5-6;1-2-3-4-5-6(7)8;7-6-4-2-1-3-5-6/h8H,1-5H2;2-5H2,1H3,(H2,7,8);1-5H2
InChIKeyQYPMABDHEHPNDH-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.35
Rot. Bonds4

About cyclohexanone;N-cyclohexylidenehydroxylamine;hexanamide

cyclohexanone;N-cyclohexylidenehydroxylamine;hexanamide (PubChem CID 160555328) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is cyclohexanone;N-cyclohexylidenehydroxylamine;hexanamide.

Molecular Properties

Compound Namecyclohexanone;N-cyclohexylidenehydroxylamine;hexanamide
PubChem CID160555328
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Namecyclohexanone;N-cyclohexylidenehydroxylamine;hexanamide
SMILESCCCCCC(N)=O.O=C1CCCCC1.ON=C1CCCCC1
InChIInChI=1S/C6H11NO.C6H13NO.C6H10O/c8-7-6-4-2-1-3-5-6;1-2-3-4-5-6(7)8;7-6-4-2-1-3-5-6/h8H,1-5H2;2-5H2,1H3,(H2,7,8);1-5H2
InChIKeyQYPMABDHEHPNDH-UHFFFAOYSA-N
XLogP4.35
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexylidenehydroxylamine;hexane
CID 159104992
N-cyclohexylidenehydroxylamine;octan-1-ol
CID 174496993
cyclopentanone;heptane
CID 20975482
cyclohexanone;pentan-1-ol
CID 70403425
CID 87899207
CID 87899207
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
N,N-dimethylpropan-1-amine;dodecanamide;oxepan-2-one
CID 174892658
N,N-dimethylpropan-1-amine;octadecanamide;oxepan-2-one
CID 175233705
cyclobutanone;undecanoic acid
CID 53445946
N-(cyclododecylideneamino)dodecanamide
CID 4575376

Frequently Asked Questions

What is the IUPAC name of cyclohexanone;N-cyclohexylidenehydroxylamine;hexanamide?
The IUPAC name of cyclohexanone;N-cyclohexylidenehydroxylamine;hexanamide (CID 160555328) is cyclohexanone;N-cyclohexylidenehydroxylamine;hexanamide.
What is the SMILES notation for cyclohexanone;N-cyclohexylidenehydroxylamine;hexanamide?
The canonical SMILES for cyclohexanone;N-cyclohexylidenehydroxylamine;hexanamide is CCCCCC(N)=O.O=C1CCCCC1.ON=C1CCCCC1.
What is the InChIKey of cyclohexanone;N-cyclohexylidenehydroxylamine;hexanamide?
The InChIKey is QYPMABDHEHPNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C6H13NO.C6H10O/c8-7-6-4-2-1-3-5-6;1-2-3-4-5-6(7)8;7-6-4-2-1-3-5-6/h8H,1-5H2;2-5H2,1H3,(H2,7,8);1-5H2.
What are the key properties of cyclohexanone;N-cyclohexylidenehydroxylamine;hexanamide?
cyclohexanone;N-cyclohexylidenehydroxylamine;hexanamide has a molecular weight of 326.48 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;N-cyclohexylidenehydroxylamine;hexanamide is sourced from PubChem (CID 160555328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).