5-bromo-N-butan-2-yl-N-butylpentanamide

C13H26BrNO — CID 107909392

IUPAC5-bromo-N-butan-2-yl-N-butylpentanamide
SMILESCCCCN(C(=O)CCCCBr)C(C)CC
InChIInChI=1S/C13H26BrNO/c1-4-6-11-15(12(3)5-2)13(16)9-7-8-10-14/h12H,4-11H2,1-3H3
InChIKeyJVAPOFWPHFJWSY-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.98
Rot. Bonds9

About 5-bromo-N-butan-2-yl-N-butylpentanamide

5-bromo-N-butan-2-yl-N-butylpentanamide (PubChem CID 107909392) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is 5-bromo-N-butan-2-yl-N-butylpentanamide.

Molecular Properties

Compound Name5-bromo-N-butan-2-yl-N-butylpentanamide
PubChem CID107909392
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC Name5-bromo-N-butan-2-yl-N-butylpentanamide
SMILESCCCCN(C(=O)CCCCBr)C(C)CC
InChIInChI=1S/C13H26BrNO/c1-4-6-11-15(12(3)5-2)13(16)9-7-8-10-14/h12H,4-11H2,1-3H3
InChIKeyJVAPOFWPHFJWSY-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.98
H-Bond Donors ≤ 50
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

5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid
CID 60662142
N-(2-bromoethyl)-N-propan-2-ylnonanamide
CID 80665371
N-(3-bromopropyl)-N-propan-2-ylbutanamide
CID 80662184
5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide
CID 107909884
6-bromo-N,N-dioctylhexanamide
CID 533338
8-bromo-N,N-didecyloctanamide;ethane
CID 168943816
5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide
CID 107910746
2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide
CID 60948518
N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide
CID 112687224
6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide
CID 65290924
N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide
CID 114276370
5-bromo-N,N-diethylpentanamide
CID 11459002

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butan-2-yl-N-butylpentanamide?
The IUPAC name of 5-bromo-N-butan-2-yl-N-butylpentanamide (CID 107909392) is 5-bromo-N-butan-2-yl-N-butylpentanamide.
What is the SMILES notation for 5-bromo-N-butan-2-yl-N-butylpentanamide?
The canonical SMILES for 5-bromo-N-butan-2-yl-N-butylpentanamide is CCCCN(C(=O)CCCCBr)C(C)CC.
What is the InChIKey of 5-bromo-N-butan-2-yl-N-butylpentanamide?
The InChIKey is JVAPOFWPHFJWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-4-6-11-15(12(3)5-2)13(16)9-7-8-10-14/h12H,4-11H2,1-3H3.
What are the key properties of 5-bromo-N-butan-2-yl-N-butylpentanamide?
5-bromo-N-butan-2-yl-N-butylpentanamide has a molecular weight of 292.26 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butan-2-yl-N-butylpentanamide is sourced from PubChem (CID 107909392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).