N-[(E)-pentylideneamino]cyclohexanecarboxamide

C12H22N2O — CID 171400506

IUPACN-[(E)-pentylideneamino]cyclohexanecarboxamide
SMILESCCCC/C=N/NC(=O)C1CCCCC1
InChIInChI=1S/C12H22N2O/c1-2-3-7-10-13-14-12(15)11-8-5-4-6-9-11/h10-11H,2-9H2,1H3,(H,14,15)/b13-10+
InChIKeyJKDIITQCEZVJIN-JLHYYAGUSA-N
MW210.32 g/mol
LogP2.86
Rot. Bonds5

About N-[(E)-pentylideneamino]cyclohexanecarboxamide

N-[(E)-pentylideneamino]cyclohexanecarboxamide (PubChem CID 171400506) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(E)-pentylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(E)-pentylideneamino]cyclohexanecarboxamide
PubChem CID171400506
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[(E)-pentylideneamino]cyclohexanecarboxamide
SMILESCCCC/C=N/NC(=O)C1CCCCC1
InChIInChI=1S/C12H22N2O/c1-2-3-7-10-13-14-12(15)11-8-5-4-6-9-11/h10-11H,2-9H2,1H3,(H,14,15)/b13-10+
InChIKeyJKDIITQCEZVJIN-JLHYYAGUSA-N
XLogP2.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-hexan-2-ylcyclohexanecarboxamide
CID 174494551
N-propylcyclooctanecarboxamide
CID 65022755
N-(nonylideneamino)decanamide
CID 5084396
N-(nonylideneamino)octanamide
CID 4295690
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
N-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide
CID 4925619
1-cycloheptylpentan-1-one
CID 65399298
N-heptan-2-ylcyclopentanecarboxamide
CID 5012700
N-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide
CID 5223518
N-[(Z)-[(2R)-2-phenylpropylidene]amino]cyclohexanecarboxamide
CID 27459209
N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclohexanecarboxamide
CID 27459213
N-(methylideneamino)cyclopentanecarboxamide
CID 161304719

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pentylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(E)-pentylideneamino]cyclohexanecarboxamide (CID 171400506) is N-[(E)-pentylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(E)-pentylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(E)-pentylideneamino]cyclohexanecarboxamide is CCCC/C=N/NC(=O)C1CCCCC1.
What is the InChIKey of N-[(E)-pentylideneamino]cyclohexanecarboxamide?
The InChIKey is JKDIITQCEZVJIN-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-3-7-10-13-14-12(15)11-8-5-4-6-9-11/h10-11H,2-9H2,1H3,(H,14,15)/b13-10+.
What are the key properties of N-[(E)-pentylideneamino]cyclohexanecarboxamide?
N-[(E)-pentylideneamino]cyclohexanecarboxamide has a molecular weight of 210.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pentylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 171400506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).