2-bromo-N-(2-methylpropyl)hexanamide

C10H20BrNO — CID 110839076

IUPAC2-bromo-N-(2-methylpropyl)hexanamide
SMILESCCCCC(Br)C(=O)NCC(C)C
InChIInChI=1S/C10H20BrNO/c1-4-5-6-9(11)10(13)12-7-8(2)3/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyWHMOJYIHPGZHHT-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.71
Rot. Bonds6

About 2-bromo-N-(2-methylpropyl)hexanamide

2-bromo-N-(2-methylpropyl)hexanamide (PubChem CID 110839076) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-bromo-N-(2-methylpropyl)hexanamide.

Molecular Properties

Compound Name2-bromo-N-(2-methylpropyl)hexanamide
PubChem CID110839076
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name2-bromo-N-(2-methylpropyl)hexanamide
SMILESCCCCC(Br)C(=O)NCC(C)C
InChIInChI=1S/C10H20BrNO/c1-4-5-6-9(11)10(13)12-7-8(2)3/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyWHMOJYIHPGZHHT-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

2-bromo-N-pentylhexanamide
CID 110839235
2,3-dibromo-N-(2-methylpropyl)propanamide
CID 21396704
2-bromo-N-(2-ethylhexyl)butanamide
CID 62854370
2-bromo-N-(2-ethylhexyl)propanamide
CID 82109337
(2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide
CID 10780106
2-bromohexanoic acid;ethane
CID 88646283
N-(2-methylpropyl)-2-(pentan-2-ylamino)propanamide
CID 43087379
2-bromopentatriacontanoic acid
CID 141388302
(2R)-2-bromoundecanoic acid
CID 98062248
(2S)-2-amino-N-(2-hydroxypropyl)hexanamide
CID 103950098
2-(butylcarbamothioylamino)-N-(2-methylpropyl)propanamide
CID 116509936
2-(2-ethylhexylamino)-N-(2-methylpropyl)acetamide
CID 112683030

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methylpropyl)hexanamide?
The IUPAC name of 2-bromo-N-(2-methylpropyl)hexanamide (CID 110839076) is 2-bromo-N-(2-methylpropyl)hexanamide.
What is the SMILES notation for 2-bromo-N-(2-methylpropyl)hexanamide?
The canonical SMILES for 2-bromo-N-(2-methylpropyl)hexanamide is CCCCC(Br)C(=O)NCC(C)C.
What is the InChIKey of 2-bromo-N-(2-methylpropyl)hexanamide?
The InChIKey is WHMOJYIHPGZHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-4-5-6-9(11)10(13)12-7-8(2)3/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-bromo-N-(2-methylpropyl)hexanamide?
2-bromo-N-(2-methylpropyl)hexanamide has a molecular weight of 250.18 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methylpropyl)hexanamide is sourced from PubChem (CID 110839076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).