6-(2-bromoethylamino)hexanoic acid

C8H16BrNO2 — CID 102350693

IUPAC6-(2-bromoethylamino)hexanoic acid
SMILESO=C(O)CCCCCNCCBr
InChIInChI=1S/C8H16BrNO2/c9-5-7-10-6-3-1-2-4-8(11)12/h10H,1-7H2,(H,11,12)
InChIKeyRRDWIUYBQYJCOE-UHFFFAOYSA-N
MW238.12 g/mol
LogP1.62
Rot. Bonds8

About 6-(2-bromoethylamino)hexanoic acid

6-(2-bromoethylamino)hexanoic acid (PubChem CID 102350693) has the molecular formula C8H16BrNO2 and a molecular weight of 238.12 g/mol. Its IUPAC name is 6-(2-bromoethylamino)hexanoic acid.

Molecular Properties

Compound Name6-(2-bromoethylamino)hexanoic acid
PubChem CID102350693
Molecular FormulaC8H16BrNO2
Molecular Weight238.12 g/mol
Exact Mass237.04
IUPAC Name6-(2-bromoethylamino)hexanoic acid
SMILESO=C(O)CCCCCNCCBr
InChIInChI=1S/C8H16BrNO2/c9-5-7-10-6-3-1-2-4-8(11)12/h10H,1-7H2,(H,11,12)
InChIKeyRRDWIUYBQYJCOE-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 51.62
H-Bond Donors ≤ 52
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

11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
CID 87391029
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
14-(2-aminoethylamino)tetradecanoic acid
CID 173203671
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
12-(pentylamino)dodecanoic acid
CID 57245176
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
13-(hexylamino)tridecanoic acid
CID 21488721
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoethylamino)hexanoic acid?
The IUPAC name of 6-(2-bromoethylamino)hexanoic acid (CID 102350693) is 6-(2-bromoethylamino)hexanoic acid.
What is the SMILES notation for 6-(2-bromoethylamino)hexanoic acid?
The canonical SMILES for 6-(2-bromoethylamino)hexanoic acid is O=C(O)CCCCCNCCBr.
What is the InChIKey of 6-(2-bromoethylamino)hexanoic acid?
The InChIKey is RRDWIUYBQYJCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2/c9-5-7-10-6-3-1-2-4-8(11)12/h10H,1-7H2,(H,11,12).
What are the key properties of 6-(2-bromoethylamino)hexanoic acid?
6-(2-bromoethylamino)hexanoic acid has a molecular weight of 238.12 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoethylamino)hexanoic acid is sourced from PubChem (CID 102350693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).