N-(1-cyanocyclooctyl)hexanamide

C15H26N2O — CID 54904747

IUPACN-(1-cyanocyclooctyl)hexanamide
SMILESCCCCCC(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C15H26N2O/c1-2-3-7-10-14(18)17-15(13-16)11-8-5-4-6-9-12-15/h2-12H2,1H3,(H,17,18)
InChIKeyMBEWNDRSFVJRKE-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.69
Rot. Bonds5

About N-(1-cyanocyclooctyl)hexanamide

N-(1-cyanocyclooctyl)hexanamide (PubChem CID 54904747) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)hexanamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)hexanamide
PubChem CID54904747
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(1-cyanocyclooctyl)hexanamide
SMILESCCCCCC(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C15H26N2O/c1-2-3-7-10-14(18)17-15(13-16)11-8-5-4-6-9-12-15/h2-12H2,1H3,(H,17,18)
InChIKeyMBEWNDRSFVJRKE-UHFFFAOYSA-N
XLogP3.69
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyanocyclooctyl)octanamide
CID 60968683
N-(4-cyano-1-methylpiperidin-4-yl)hexanamide
CID 54904452
N-(1-cyanocyclooctyl)-4-methoxybutanamide
CID 112731248
N-(1-cyanocyclopentyl)propanamide
CID 55029198
N-(1-cyanocyclooctyl)-3-methylsulfanylpropanamide
CID 60968545
N-(1-cyanocycloheptyl)-3-ethoxypropanamide
CID 62591017
methyl 4-[(1-cyanocyclohexyl)amino]-4-oxobutanoate
CID 95453797
N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
CID 60516717
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide
CID 54904649
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
1-(1-cyanocycloheptyl)-3-propylurea
CID 61124420

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)hexanamide?
The IUPAC name of N-(1-cyanocyclooctyl)hexanamide (CID 54904747) is N-(1-cyanocyclooctyl)hexanamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)hexanamide?
The canonical SMILES for N-(1-cyanocyclooctyl)hexanamide is CCCCCC(=O)NC1(C#N)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)hexanamide?
The InChIKey is MBEWNDRSFVJRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-3-7-10-14(18)17-15(13-16)11-8-5-4-6-9-12-15/h2-12H2,1H3,(H,17,18).
What are the key properties of N-(1-cyanocyclooctyl)hexanamide?
N-(1-cyanocyclooctyl)hexanamide has a molecular weight of 250.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)hexanamide is sourced from PubChem (CID 54904747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).