N-(3-bromobutyl)-2,2-dimethylbutanamide

C10H20BrNO — CID 114312578

IUPACN-(3-bromobutyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCC(C)Br
InChIInChI=1S/C10H20BrNO/c1-5-10(3,4)9(13)12-7-6-8(2)11/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyOCQXBLFASKGFDH-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.71
Rot. Bonds5

About N-(3-bromobutyl)-2,2-dimethylbutanamide

N-(3-bromobutyl)-2,2-dimethylbutanamide (PubChem CID 114312578) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is N-(3-bromobutyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-bromobutyl)-2,2-dimethylbutanamide
PubChem CID114312578
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC NameN-(3-bromobutyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCC(C)Br
InChIInChI=1S/C10H20BrNO/c1-5-10(3,4)9(13)12-7-6-8(2)11/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyOCQXBLFASKGFDH-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-2,2-dimethylbutanamide
CID 63253929
N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide
CID 106157342
N-(3-bromobutyl)-2-methylbutanamide
CID 114312674
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733
N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide
CID 114313422
N-(3-hydroxybutyl)-2-iodo-2-methylpropanamide
CID 89235197
N-(4-aminobutyl)-2,2-dimethylbutanamide
CID 62677618
N-(aminomethyl)-2,2-dimethylbutanamide
CID 20688200
N-(2,2-dimethylpropyl)-2,2-dimethylbutanamide
CID 54381373
N-butyl-2,2,5-trimethylhexanamide
CID 145422242
2,2-dimethyl-N-(3-methylbutan-2-yl)butanamide
CID 123229484
2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide
CID 104936395

Frequently Asked Questions

What is the IUPAC name of N-(3-bromobutyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(3-bromobutyl)-2,2-dimethylbutanamide (CID 114312578) is N-(3-bromobutyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(3-bromobutyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(3-bromobutyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCCC(C)Br.
What is the InChIKey of N-(3-bromobutyl)-2,2-dimethylbutanamide?
The InChIKey is OCQXBLFASKGFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-5-10(3,4)9(13)12-7-6-8(2)11/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of N-(3-bromobutyl)-2,2-dimethylbutanamide?
N-(3-bromobutyl)-2,2-dimethylbutanamide has a molecular weight of 250.18 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromobutyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 114312578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).