2-bromo-N,N-dibutyl-3-methylbutanamide

C13H26BrNO — CID 43125918

IUPAC2-bromo-N,N-dibutyl-3-methylbutanamide
SMILESCCCCN(CCCC)C(=O)C(Br)C(C)C
InChIInChI=1S/C13H26BrNO/c1-5-7-9-15(10-8-6-2)13(16)12(14)11(3)4/h11-12H,5-10H2,1-4H3
InChIKeyZLKQRBRDEXGBBU-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.83
Rot. Bonds8

About 2-bromo-N,N-dibutyl-3-methylbutanamide

2-bromo-N,N-dibutyl-3-methylbutanamide (PubChem CID 43125918) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-bromo-N,N-dibutyl-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N,N-dibutyl-3-methylbutanamide
PubChem CID43125918
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC Name2-bromo-N,N-dibutyl-3-methylbutanamide
SMILESCCCCN(CCCC)C(=O)C(Br)C(C)C
InChIInChI=1S/C13H26BrNO/c1-5-7-9-15(10-8-6-2)13(16)12(14)11(3)4/h11-12H,5-10H2,1-4H3
InChIKeyZLKQRBRDEXGBBU-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.83
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-dibutyl-3-methylbutanamide?
The IUPAC name of 2-bromo-N,N-dibutyl-3-methylbutanamide (CID 43125918) is 2-bromo-N,N-dibutyl-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N,N-dibutyl-3-methylbutanamide?
The canonical SMILES for 2-bromo-N,N-dibutyl-3-methylbutanamide is CCCCN(CCCC)C(=O)C(Br)C(C)C.
What is the InChIKey of 2-bromo-N,N-dibutyl-3-methylbutanamide?
The InChIKey is ZLKQRBRDEXGBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-5-7-9-15(10-8-6-2)13(16)12(14)11(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-bromo-N,N-dibutyl-3-methylbutanamide?
2-bromo-N,N-dibutyl-3-methylbutanamide has a molecular weight of 292.26 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-dibutyl-3-methylbutanamide is sourced from PubChem (CID 43125918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).