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

C13H26BrNO — CID 106145156

IUPACN-(5-bromo-2,2-dimethylpentyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NCC(C)(C)CCCBr
InChIInChI=1S/C13H26BrNO/c1-5-7-11(2)12(16)15-10-13(3,4)8-6-9-14/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyGCSLHNVNXZHZFQ-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.74
Rot. Bonds8

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

N-(5-bromo-2,2-dimethylpentyl)-2-methylpentanamide (PubChem CID 106145156) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(5-bromo-2,2-dimethylpentyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(5-bromo-2,2-dimethylpentyl)-2-methylpentanamide
PubChem CID106145156
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC NameN-(5-bromo-2,2-dimethylpentyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NCC(C)(C)CCCBr
InChIInChI=1S/C13H26BrNO/c1-5-7-11(2)12(16)15-10-13(3,4)8-6-9-14/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyGCSLHNVNXZHZFQ-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.74
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-amino-2,2-dimethylpentyl)-2-methylpentanamide
CID 106140775
N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide
CID 106145033
4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide
CID 80544365
N-(5-bromo-2,2-dimethylpentyl)heptanamide
CID 106145537
N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide
CID 114149740
N-(5-bromo-2,2-dimethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106145391
(2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid
CID 107567309
N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide
CID 106145377
N-(4-bromo-2,2-dimethylbutyl)-2-methylsulfonylpropanamide
CID 106143542
N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide
CID 106144319
2-methyl-N-[2-(methylamino)ethyl]pentanamide
CID 62659666
N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide
CID 82987576

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-2-methylpentanamide?
The IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-2-methylpentanamide (CID 106145156) is N-(5-bromo-2,2-dimethylpentyl)-2-methylpentanamide.
What is the SMILES notation for N-(5-bromo-2,2-dimethylpentyl)-2-methylpentanamide?
The canonical SMILES for N-(5-bromo-2,2-dimethylpentyl)-2-methylpentanamide is CCCC(C)C(=O)NCC(C)(C)CCCBr.
What is the InChIKey of N-(5-bromo-2,2-dimethylpentyl)-2-methylpentanamide?
The InChIKey is GCSLHNVNXZHZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-5-7-11(2)12(16)15-10-13(3,4)8-6-9-14/h11H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N-(5-bromo-2,2-dimethylpentyl)-2-methylpentanamide?
N-(5-bromo-2,2-dimethylpentyl)-2-methylpentanamide has a molecular weight of 292.26 g/mol, XLogP of 3.74, 8 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-methylpentanamide is sourced from PubChem (CID 106145156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).