N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide

C15H30BrNO — CID 106145033

IUPACN-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCC(C)(C)CCCBr
InChIInChI=1S/C15H30BrNO/c1-5-7-9-13(6-2)14(18)17-12-15(3,4)10-8-11-16/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyPPXHFUCAAQJEGI-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.52
Rot. Bonds10

About N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide

N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide (PubChem CID 106145033) has the molecular formula C15H30BrNO and a molecular weight of 320.32 g/mol. Its IUPAC name is N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide
PubChem CID106145033
Molecular FormulaC15H30BrNO
Molecular Weight320.32 g/mol
Exact Mass319.15
IUPAC NameN-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCC(C)(C)CCCBr
InChIInChI=1S/C15H30BrNO/c1-5-7-9-13(6-2)14(18)17-12-15(3,4)10-8-11-16/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyPPXHFUCAAQJEGI-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.52
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-(5-bromo-2,2-dimethylpentyl)-2-methylpentanamide
CID 106145156
N-(6-bromohexyl)-2-ethylhexanamide
CID 107847533
N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide
CID 106144319
2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide
CID 113245983
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide
CID 115365004
N-(5-bromo-2,2-dimethylpentyl)heptanamide
CID 106145537
2-ethyl-N-pentylhexanamide
CID 5123867
N-(5-bromo-2,2-dimethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106145391
4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide
CID 80544365
N-(5-amino-2,2-dimethylpentyl)-2-methylpentanamide
CID 106140775
(2S)-2-ethylhexanehydrazide
CID 40549650

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide?
The IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide (CID 106145033) is N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide.
What is the SMILES notation for N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide?
The canonical SMILES for N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide is CCCCC(CC)C(=O)NCC(C)(C)CCCBr.
What is the InChIKey of N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide?
The InChIKey is PPXHFUCAAQJEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BrNO/c1-5-7-9-13(6-2)14(18)17-12-15(3,4)10-8-11-16/h13H,5-12H2,1-4H3,(H,17,18).
What are the key properties of N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide?
N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide has a molecular weight of 320.32 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide is sourced from PubChem (CID 106145033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).