N,3,3-trimethylbutanamide

C7H15NO — CID 2795132

IUPACN,3,3-trimethylbutanamide
SMILESCNC(=O)CC(C)(C)C
InChIInChI=1S/C7H15NO/c1-7(2,3)5-6(9)8-4/h5H2,1-4H3,(H,8,9)
InChIKeyNUJMTBRJXROCOI-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.17
Rot. Bonds1

About N,3,3-trimethylbutanamide

N,3,3-trimethylbutanamide (PubChem CID 2795132) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN,3,3-trimethylbutanamide
PubChem CID2795132
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN,3,3-trimethylbutanamide
SMILESCNC(=O)CC(C)(C)C
InChIInChI=1S/C7H15NO/c1-7(2,3)5-6(9)8-4/h5H2,1-4H3,(H,8,9)
InChIKeyNUJMTBRJXROCOI-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethylbutanamide?
The IUPAC name of N,3,3-trimethylbutanamide (CID 2795132) is N,3,3-trimethylbutanamide.
What is the SMILES notation for N,3,3-trimethylbutanamide?
The canonical SMILES for N,3,3-trimethylbutanamide is CNC(=O)CC(C)(C)C.
What is the InChIKey of N,3,3-trimethylbutanamide?
The InChIKey is NUJMTBRJXROCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2,3)5-6(9)8-4/h5H2,1-4H3,(H,8,9).
What are the key properties of N,3,3-trimethylbutanamide?
N,3,3-trimethylbutanamide has a molecular weight of 129.20 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethylbutanamide is sourced from PubChem (CID 2795132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).