5-bromo-N-(2-cyano-2-methylpropyl)pentanamide

C10H17BrN2O — CID 107910644

IUPAC5-bromo-N-(2-cyano-2-methylpropyl)pentanamide
SMILESCC(C)(C#N)CNC(=O)CCCCBr
InChIInChI=1S/C10H17BrN2O/c1-10(2,7-12)8-13-9(14)5-3-4-6-11/h3-6,8H2,1-2H3,(H,13,14)
InChIKeyDZMRESMRMHMPLV-UHFFFAOYSA-N
MW261.16 g/mol
LogP2.22
Rot. Bonds6

About 5-bromo-N-(2-cyano-2-methylpropyl)pentanamide

5-bromo-N-(2-cyano-2-methylpropyl)pentanamide (PubChem CID 107910644) has the molecular formula C10H17BrN2O and a molecular weight of 261.16 g/mol. Its IUPAC name is 5-bromo-N-(2-cyano-2-methylpropyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyano-2-methylpropyl)pentanamide
PubChem CID107910644
Molecular FormulaC10H17BrN2O
Molecular Weight261.16 g/mol
Exact Mass260.05
IUPAC Name5-bromo-N-(2-cyano-2-methylpropyl)pentanamide
SMILESCC(C)(C#N)CNC(=O)CCCCBr
InChIInChI=1S/C10H17BrN2O/c1-10(2,7-12)8-13-9(14)5-3-4-6-11/h3-6,8H2,1-2H3,(H,13,14)
InChIKeyDZMRESMRMHMPLV-UHFFFAOYSA-N
XLogP2.22
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide
CID 106253070
5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide
CID 107909678
5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide
CID 107910537
N-(5-bromo-2,2-dimethylpentyl)heptanamide
CID 106145537
3-bromo-N-(2-cyano-2-methylpropyl)prop-2-ynamide
CID 131080968
11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232
4-bromobutanoic acid;4-bromo-N-(cyanomethyl)butanamide
CID 87406570
5-bromo-N-methylpentanamide
CID 19971018
(2R)-N-(2-cyano-2-methylpropyl)-2-hydroxypropanamide
CID 131203487
N-(2-cyano-2-methylpropyl)but-2-ynamide
CID 130621104
2-(6-bromohexanoylamino)acetic acid
CID 18934957
N-(2,2-dimethylpropyl)-5-hydroxypentanamide
CID 79209264

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyano-2-methylpropyl)pentanamide?
The IUPAC name of 5-bromo-N-(2-cyano-2-methylpropyl)pentanamide (CID 107910644) is 5-bromo-N-(2-cyano-2-methylpropyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2-cyano-2-methylpropyl)pentanamide?
The canonical SMILES for 5-bromo-N-(2-cyano-2-methylpropyl)pentanamide is CC(C)(C#N)CNC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(2-cyano-2-methylpropyl)pentanamide?
The InChIKey is DZMRESMRMHMPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O/c1-10(2,7-12)8-13-9(14)5-3-4-6-11/h3-6,8H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-N-(2-cyano-2-methylpropyl)pentanamide?
5-bromo-N-(2-cyano-2-methylpropyl)pentanamide has a molecular weight of 261.16 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyano-2-methylpropyl)pentanamide is sourced from PubChem (CID 107910644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).