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

C12H20N2O — CID 55029199

IUPACN-(1-cyanocyclopentyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C12H20N2O/c1-11(2,3)8-10(15)14-12(9-13)6-4-5-7-12/h4-8H2,1-3H3,(H,14,15)
InChIKeyKWMCRVCQSYALNE-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.38
Rot. Bonds2

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

N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide (PubChem CID 55029199) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-3,3-dimethylbutanamide
PubChem CID55029199
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(1-cyanocyclopentyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C12H20N2O/c1-11(2,3)8-10(15)14-12(9-13)6-4-5-7-12/h4-8H2,1-3H3,(H,14,15)
InChIKeyKWMCRVCQSYALNE-UHFFFAOYSA-N
XLogP2.38
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide
CID 54904649
N-(1-cyanocyclopentyl)propanamide
CID 55029198
methyl 5-[(1-cyanocyclobutyl)amino]-3,3-dimethyl-5-oxopentanoate
CID 75445087
N-(1-cyanocyclopentyl)-2,2-dimethylpropanamide
CID 60704873
N-(1-cyanocyclopentyl)-2-methoxyacetamide
CID 60724698
N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide
CID 60968681
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
N-(1-cyanocyclopentyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111538101
N-(1-cyanocyclooctyl)-3-methylsulfanylpropanamide
CID 60968545
4-[(1-cyanocyclohexyl)amino]-4-oxobutanoic acid
CID 82287344
N-(1-cyanocyclooctyl)hexanamide
CID 54904747
methyl 4-[(1-cyanocyclohexyl)amino]-4-oxobutanoate
CID 95453797

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide (CID 55029199) is N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC1(C#N)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide?
The InChIKey is KWMCRVCQSYALNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(2,3)8-10(15)14-12(9-13)6-4-5-7-12/h4-8H2,1-3H3,(H,14,15).
What are the key properties of N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide?
N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide has a molecular weight of 208.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 55029199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).