N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide

C14H24N2O — CID 60968681

IUPACN-(1-cyanocyclooctyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C14H24N2O/c1-13(2,3)12(17)16-14(11-15)9-7-5-4-6-8-10-14/h4-10H2,1-3H3,(H,16,17)
InChIKeyZPYIHIZZFFRPCD-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.16
Rot. Bonds1

About N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide

N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide (PubChem CID 60968681) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)-2,2-dimethylpropanamide
PubChem CID60968681
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(1-cyanocyclooctyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C14H24N2O/c1-13(2,3)12(17)16-14(11-15)9-7-5-4-6-8-10-14/h4-10H2,1-3H3,(H,16,17)
InChIKeyZPYIHIZZFFRPCD-UHFFFAOYSA-N
XLogP3.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocyclopentyl)-2,2-dimethylpropanamide
CID 60704873
N-(1-cyanocyclopropyl)-2,2-dimethylpropanamide
CID 90305562
N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide
CID 54904649
N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide
CID 55029199
1-(1-cyanocyclooctyl)-3-propan-2-ylurea
CID 61124743
2-bromo-N-(1-cyanocycloheptyl)propanamide
CID 107903353
N-(1-cyanocyclopentyl)propanamide
CID 55029198
N-(1-cyanocycloheptyl)-2,2-difluoroacetamide
CID 103513731
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
N-(1-cyanocyclohexyl)-2-methoxypropanamide
CID 112685947
N-(1-acetylcyclohexyl)-2,2-dimethylpropanamide
CID 117060178
1-(1-cyanocycloheptyl)-3-propylurea
CID 61124420

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide (CID 60968681) is N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1(C#N)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide?
The InChIKey is ZPYIHIZZFFRPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(2,3)12(17)16-14(11-15)9-7-5-4-6-8-10-14/h4-10H2,1-3H3,(H,16,17).
What are the key properties of N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide?
N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide has a molecular weight of 236.36 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 60968681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).