2,3-dimethylbutanediamide

C6H12N2O2 — CID 55281411

IUPAC2,3-dimethylbutanediamide
SMILESCC(C(N)=O)C(C)C(N)=O
InChIInChI=1S/C6H12N2O2/c1-3(5(7)9)4(2)6(8)10/h3-4H,1-2H3,(H2,7,9)(H2,8,10)
InChIKeyRQUVQSFTPVJPSZ-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.77
Rot. Bonds3

About 2,3-dimethylbutanediamide

2,3-dimethylbutanediamide (PubChem CID 55281411) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2,3-dimethylbutanediamide.

Molecular Properties

Compound Name2,3-dimethylbutanediamide
PubChem CID55281411
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2,3-dimethylbutanediamide
SMILESCC(C(N)=O)C(C)C(N)=O
InChIInChI=1S/C6H12N2O2/c1-3(5(7)9)4(2)6(8)10/h3-4H,1-2H3,(H2,7,9)(H2,8,10)
InChIKeyRQUVQSFTPVJPSZ-UHFFFAOYSA-N
XLogP-0.77
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutanediamide?
The IUPAC name of 2,3-dimethylbutanediamide (CID 55281411) is 2,3-dimethylbutanediamide.
What is the SMILES notation for 2,3-dimethylbutanediamide?
The canonical SMILES for 2,3-dimethylbutanediamide is CC(C(N)=O)C(C)C(N)=O.
What is the InChIKey of 2,3-dimethylbutanediamide?
The InChIKey is RQUVQSFTPVJPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3(5(7)9)4(2)6(8)10/h3-4H,1-2H3,(H2,7,9)(H2,8,10).
What are the key properties of 2,3-dimethylbutanediamide?
2,3-dimethylbutanediamide has a molecular weight of 144.17 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutanediamide is sourced from PubChem (CID 55281411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).