N,N-dimethylbutanamide

C6H13NO — CID 12973

IUPACN,N-dimethylbutanamide
SMILESCCCC(=O)N(C)C
InChIInChI=1S/C6H13NO/c1-4-5-6(8)7(2)3/h4-5H2,1-3H3
InChIKeyVIJUZNJJLALGNJ-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.87
Rot. Bonds2

About N,N-dimethylbutanamide

N,N-dimethylbutanamide (PubChem CID 12973) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N,N-dimethylbutanamide.

Molecular Properties

Compound NameN,N-dimethylbutanamide
PubChem CID12973
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN,N-dimethylbutanamide
SMILESCCCC(=O)N(C)C
InChIInChI=1S/C6H13NO/c1-4-5-6(8)7(2)3/h4-5H2,1-3H3
InChIKeyVIJUZNJJLALGNJ-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propanamide, N,N-dimethyl-
CID 12965
N,N-Dimethylpentanamide
CID 80365
N,N,2-trimethylpropanamide
CID 243415
N,N-Dimethyl-tert-butylcarboxamide
CID 141102
N,N-Dimethylcyclopropanecarboxamide
CID 140273
N,N-dimethylpent-4-ynamide
CID 17851574
N,N,2-trimethylbutanamide
CID 4476069
N,N,3-Trimethylbutanamide
CID 4635762
N-chloro-N-methylbutanamide
CID 14433470
3-fluoro-N,N-dimethylpropanamide
CID 57903626
4,4,4-trifluoro-N,N-dimethylbutanamide
CID 65710546
2,2-difluoro-N,N-dimethylbutanamide
CID 89019038

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbutanamide?
The IUPAC name of N,N-dimethylbutanamide (CID 12973) is N,N-dimethylbutanamide.
What is the SMILES notation for N,N-dimethylbutanamide?
The canonical SMILES for N,N-dimethylbutanamide is CCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethylbutanamide?
The InChIKey is VIJUZNJJLALGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-5-6(8)7(2)3/h4-5H2,1-3H3.
What are the key properties of N,N-dimethylbutanamide?
N,N-dimethylbutanamide has a molecular weight of 115.18 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbutanamide is sourced from PubChem (CID 12973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).