N-(1-bromo-2-methylbutan-2-yl)nonanamide

C14H28BrNO — CID 114314390

IUPACN-(1-bromo-2-methylbutan-2-yl)nonanamide
SMILESCCCCCCCCC(=O)NC(C)(CC)CBr
InChIInChI=1S/C14H28BrNO/c1-4-6-7-8-9-10-11-13(17)16-14(3,5-2)12-15/h4-12H2,1-3H3,(H,16,17)
InChIKeyPBOSUIYVAQRPBY-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.42
Rot. Bonds10

About N-(1-bromo-2-methylbutan-2-yl)nonanamide

N-(1-bromo-2-methylbutan-2-yl)nonanamide (PubChem CID 114314390) has the molecular formula C14H28BrNO and a molecular weight of 306.29 g/mol. Its IUPAC name is N-(1-bromo-2-methylbutan-2-yl)nonanamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylbutan-2-yl)nonanamide
PubChem CID114314390
Molecular FormulaC14H28BrNO
Molecular Weight306.29 g/mol
Exact Mass305.14
IUPAC NameN-(1-bromo-2-methylbutan-2-yl)nonanamide
SMILESCCCCCCCCC(=O)NC(C)(CC)CBr
InChIInChI=1S/C14H28BrNO/c1-4-6-7-8-9-10-11-13(17)16-14(3,5-2)12-15/h4-12H2,1-3H3,(H,16,17)
InChIKeyPBOSUIYVAQRPBY-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromo-2-methylbutan-2-yl)hexanamide
CID 114314353
N-(3-methylpentan-3-yl)hexanamide
CID 90883485
N-(1-amino-3-methylpentan-3-yl)nonanamide
CID 106164392
N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
N-(1-hydroxy-2-methylpropan-2-yl)dodecanamide
CID 13410459
N-[2-(ethylamino)butan-2-yl]icosanamide
CID 158301838
N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633
N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
CID 65427888
N-(2-cyanobutan-2-yl)heptanamide
CID 115599534
N-(1-bromo-2-phenylpropan-2-yl)octanamide
CID 105059946
N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide
CID 115737471
N-(2-methylbut-3-yn-2-yl)dodecanamide
CID 65426604

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylbutan-2-yl)nonanamide?
The IUPAC name of N-(1-bromo-2-methylbutan-2-yl)nonanamide (CID 114314390) is N-(1-bromo-2-methylbutan-2-yl)nonanamide.
What is the SMILES notation for N-(1-bromo-2-methylbutan-2-yl)nonanamide?
The canonical SMILES for N-(1-bromo-2-methylbutan-2-yl)nonanamide is CCCCCCCCC(=O)NC(C)(CC)CBr.
What is the InChIKey of N-(1-bromo-2-methylbutan-2-yl)nonanamide?
The InChIKey is PBOSUIYVAQRPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrNO/c1-4-6-7-8-9-10-11-13(17)16-14(3,5-2)12-15/h4-12H2,1-3H3,(H,16,17).
What are the key properties of N-(1-bromo-2-methylbutan-2-yl)nonanamide?
N-(1-bromo-2-methylbutan-2-yl)nonanamide has a molecular weight of 306.29 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylbutan-2-yl)nonanamide is sourced from PubChem (CID 114314390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).