N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide

C15H26N2O — CID 54904649

IUPACN-(1-cyanocyclooctyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C15H26N2O/c1-14(2,3)11-13(18)17-15(12-16)9-7-5-4-6-8-10-15/h4-11H2,1-3H3,(H,17,18)
InChIKeyIFCSGOUXAXXDJC-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.55
Rot. Bonds2

About N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide

N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide (PubChem CID 54904649) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)-3,3-dimethylbutanamide
PubChem CID54904649
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(1-cyanocyclooctyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C15H26N2O/c1-14(2,3)11-13(18)17-15(12-16)9-7-5-4-6-8-10-15/h4-11H2,1-3H3,(H,17,18)
InChIKeyIFCSGOUXAXXDJC-UHFFFAOYSA-N
XLogP3.55
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide
CID 55029199
N-(1-cyanocyclopentyl)propanamide
CID 55029198
N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide
CID 60968681
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
methyl 5-[(1-cyanocyclobutyl)amino]-3,3-dimethyl-5-oxopentanoate
CID 75445087
N-(1-cyanocyclooctyl)-3-methylsulfanylpropanamide
CID 60968545
N-(1-cyanocyclopentyl)-2,2-dimethylpropanamide
CID 60704873
4-[(1-cyanocyclohexyl)amino]-4-oxobutanoic acid
CID 82287344
N-(1-cyanocyclopentyl)-2-methoxyacetamide
CID 60724698
N-(1-cyanocyclooctyl)hexanamide
CID 54904747
methyl 4-[(1-cyanocyclohexyl)amino]-4-oxobutanoate
CID 95453797
N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
CID 60516717

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide (CID 54904649) is N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC1(C#N)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide?
The InChIKey is IFCSGOUXAXXDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-14(2,3)11-13(18)17-15(12-16)9-7-5-4-6-8-10-15/h4-11H2,1-3H3,(H,17,18).
What are the key properties of N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide?
N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide has a molecular weight of 250.39 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 54904649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).