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

C14H28BrNO — CID 106145537

IUPACN-(5-bromo-2,2-dimethylpentyl)heptanamide
SMILESCCCCCCC(=O)NCC(C)(C)CCCBr
InChIInChI=1S/C14H28BrNO/c1-4-5-6-7-9-13(17)16-12-14(2,3)10-8-11-15/h4-12H2,1-3H3,(H,16,17)
InChIKeyMQUZABZBMXSFQE-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.27
Rot. Bonds10

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

N-(5-bromo-2,2-dimethylpentyl)heptanamide (PubChem CID 106145537) has the molecular formula C14H28BrNO and a molecular weight of 306.29 g/mol. Its IUPAC name is N-(5-bromo-2,2-dimethylpentyl)heptanamide.

Molecular Properties

Compound NameN-(5-bromo-2,2-dimethylpentyl)heptanamide
PubChem CID106145537
Molecular FormulaC14H28BrNO
Molecular Weight306.29 g/mol
Exact Mass305.14
IUPAC NameN-(5-bromo-2,2-dimethylpentyl)heptanamide
SMILESCCCCCCC(=O)NCC(C)(C)CCCBr
InChIInChI=1S/C14H28BrNO/c1-4-5-6-7-9-13(17)16-12-14(2,3)10-8-11-15/h4-12H2,1-3H3,(H,16,17)
InChIKeyMQUZABZBMXSFQE-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
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-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide
CID 115271233
N-(4-amino-2,2-dimethylbutyl)pentanamide
CID 106139700
3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106146044
N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]hexadecanamide
CID 162756117
N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide
CID 106145033
N-(5-bromo-2,2-dimethylpentyl)-2-methylpentanamide
CID 106145156
N-[3-[3-[3-(3-amino-2,2-dimethylpropoxy)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide;ethane
CID 171529103
N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide
CID 141198616
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
ethane;N-propylheptanamide
CID 145289188

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,2-dimethylpentyl)heptanamide?
The IUPAC name of N-(5-bromo-2,2-dimethylpentyl)heptanamide (CID 106145537) is N-(5-bromo-2,2-dimethylpentyl)heptanamide.
What is the SMILES notation for N-(5-bromo-2,2-dimethylpentyl)heptanamide?
The canonical SMILES for N-(5-bromo-2,2-dimethylpentyl)heptanamide is CCCCCCC(=O)NCC(C)(C)CCCBr.
What is the InChIKey of N-(5-bromo-2,2-dimethylpentyl)heptanamide?
The InChIKey is MQUZABZBMXSFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrNO/c1-4-5-6-7-9-13(17)16-12-14(2,3)10-8-11-15/h4-12H2,1-3H3,(H,16,17).
What are the key properties of N-(5-bromo-2,2-dimethylpentyl)heptanamide?
N-(5-bromo-2,2-dimethylpentyl)heptanamide has a molecular weight of 306.29 g/mol, XLogP of 4.27, 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)heptanamide is sourced from PubChem (CID 106145537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).