2,2-dimethylbutanamide

C6H13NO — CID 4627807

IUPAC2,2-dimethylbutanamide
SMILESCCC(C)(C)C(N)=O
InChIInChI=1S/C6H13NO/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H2,7,8)
InChIKeyJDEUUKYNTHHAQH-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.91
Rot. Bonds2

About 2,2-dimethylbutanamide

2,2-dimethylbutanamide (PubChem CID 4627807) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2,2-dimethylbutanamide.

Molecular Properties

Compound Name2,2-dimethylbutanamide
PubChem CID4627807
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2,2-dimethylbutanamide
SMILESCCC(C)(C)C(N)=O
InChIInChI=1S/C6H13NO/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H2,7,8)
InChIKeyJDEUUKYNTHHAQH-UHFFFAOYSA-N
XLogP0.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methylbutanamide
CID 10930
Trimethylacetamide
CID 12957
2-Methylbutanamide
CID 97778
3,3-Dimethylbutanamide
CID 219625
2,2-Dimethylpentanamide
CID 83180
(+)-(s)-2-Methyl-butanoic amide
CID 21344920
(R)-2-Methylbutanamide
CID 41097729
2,2-Diethylbutanamide
CID 237888
2,2,3-Trimethylbutanamide
CID 228075
2-Fluoro-2-methylbutanamide
CID 85550889
t-Butyl-dimethylacetamide
CID 246583
2-Ethyl-2-methylbutanamide
CID 17992395

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutanamide?
The IUPAC name of 2,2-dimethylbutanamide (CID 4627807) is 2,2-dimethylbutanamide.
What is the SMILES notation for 2,2-dimethylbutanamide?
The canonical SMILES for 2,2-dimethylbutanamide is CCC(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethylbutanamide?
The InChIKey is JDEUUKYNTHHAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H2,7,8).
What are the key properties of 2,2-dimethylbutanamide?
2,2-dimethylbutanamide has a molecular weight of 115.18 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutanamide is sourced from PubChem (CID 4627807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).