6-bromo-N-(2-pyrrolidin-1-ylethyl)hexanamide

C12H23BrN2O — CID 126668377

IUPAC6-bromo-N-(2-pyrrolidin-1-ylethyl)hexanamide
SMILESO=C(CCCCCBr)NCCN1CCCC1
InChIInChI=1S/C12H23BrN2O/c13-7-3-1-2-6-12(16)14-8-11-15-9-4-5-10-15/h1-11H2,(H,14,16)
InChIKeyRSNNMILJOOKJFJ-UHFFFAOYSA-N
MW291.23 g/mol
LogP2.15
Rot. Bonds8

About 6-bromo-N-(2-pyrrolidin-1-ylethyl)hexanamide

6-bromo-N-(2-pyrrolidin-1-ylethyl)hexanamide (PubChem CID 126668377) has the molecular formula C12H23BrN2O and a molecular weight of 291.23 g/mol. Its IUPAC name is 6-bromo-N-(2-pyrrolidin-1-ylethyl)hexanamide.

Molecular Properties

Compound Name6-bromo-N-(2-pyrrolidin-1-ylethyl)hexanamide
PubChem CID126668377
Molecular FormulaC12H23BrN2O
Molecular Weight291.23 g/mol
Exact Mass290.10
IUPAC Name6-bromo-N-(2-pyrrolidin-1-ylethyl)hexanamide
SMILESO=C(CCCCCBr)NCCN1CCCC1
InChIInChI=1S/C12H23BrN2O/c13-7-3-1-2-6-12(16)14-8-11-15-9-4-5-10-15/h1-11H2,(H,14,16)
InChIKeyRSNNMILJOOKJFJ-UHFFFAOYSA-N
XLogP2.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-pyrrolidin-1-ylethyl)hexanamide?
The IUPAC name of 6-bromo-N-(2-pyrrolidin-1-ylethyl)hexanamide (CID 126668377) is 6-bromo-N-(2-pyrrolidin-1-ylethyl)hexanamide.
What is the SMILES notation for 6-bromo-N-(2-pyrrolidin-1-ylethyl)hexanamide?
The canonical SMILES for 6-bromo-N-(2-pyrrolidin-1-ylethyl)hexanamide is O=C(CCCCCBr)NCCN1CCCC1.
What is the InChIKey of 6-bromo-N-(2-pyrrolidin-1-ylethyl)hexanamide?
The InChIKey is RSNNMILJOOKJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN2O/c13-7-3-1-2-6-12(16)14-8-11-15-9-4-5-10-15/h1-11H2,(H,14,16).
What are the key properties of 6-bromo-N-(2-pyrrolidin-1-ylethyl)hexanamide?
6-bromo-N-(2-pyrrolidin-1-ylethyl)hexanamide has a molecular weight of 291.23 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-pyrrolidin-1-ylethyl)hexanamide is sourced from PubChem (CID 126668377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).