2-bromo-N,N,3-trimethylbutanamide

C7H14BrNO — CID 547487

IUPAC2-bromo-N,N,3-trimethylbutanamide
SMILESCC(C)C(Br)C(=O)N(C)C
InChIInChI=1S/C7H14BrNO/c1-5(2)6(8)7(10)9(3)4/h5-6H,1-4H3
InChIKeyPOEPTKGZCYUKLO-UHFFFAOYSA-N
MW208.10 g/mol
LogP1.49
Rot. Bonds2

About 2-bromo-N,N,3-trimethylbutanamide

2-bromo-N,N,3-trimethylbutanamide (PubChem CID 547487) has the molecular formula C7H14BrNO and a molecular weight of 208.10 g/mol. Its IUPAC name is 2-bromo-N,N,3-trimethylbutanamide.

Molecular Properties

Compound Name2-bromo-N,N,3-trimethylbutanamide
PubChem CID547487
Molecular FormulaC7H14BrNO
Molecular Weight208.10 g/mol
Exact Mass207.03
IUPAC Name2-bromo-N,N,3-trimethylbutanamide
SMILESCC(C)C(Br)C(=O)N(C)C
InChIInChI=1S/C7H14BrNO/c1-5(2)6(8)7(10)9(3)4/h5-6H,1-4H3
InChIKeyPOEPTKGZCYUKLO-UHFFFAOYSA-N
XLogP1.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N,3-trimethylbutanamide?
The IUPAC name of 2-bromo-N,N,3-trimethylbutanamide (CID 547487) is 2-bromo-N,N,3-trimethylbutanamide.
What is the SMILES notation for 2-bromo-N,N,3-trimethylbutanamide?
The canonical SMILES for 2-bromo-N,N,3-trimethylbutanamide is CC(C)C(Br)C(=O)N(C)C.
What is the InChIKey of 2-bromo-N,N,3-trimethylbutanamide?
The InChIKey is POEPTKGZCYUKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO/c1-5(2)6(8)7(10)9(3)4/h5-6H,1-4H3.
What are the key properties of 2-bromo-N,N,3-trimethylbutanamide?
2-bromo-N,N,3-trimethylbutanamide has a molecular weight of 208.10 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N,3-trimethylbutanamide is sourced from PubChem (CID 547487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).