2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol

C11H24BrNO — CID 64995595

IUPAC2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)CC(C)CBr
InChIInChI=1S/C11H24BrNO/c1-4-11(5-2)13(6-7-14)9-10(3)8-12/h10-11,14H,4-9H2,1-3H3
InChIKeyZKUPUFVVQBLGNV-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.50
Rot. Bonds8

About 2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol

2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol (PubChem CID 64995595) has the molecular formula C11H24BrNO and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol
PubChem CID64995595
Molecular FormulaC11H24BrNO
Molecular Weight266.22 g/mol
Exact Mass265.10
IUPAC Name2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)CC(C)CBr
InChIInChI=1S/C11H24BrNO/c1-4-11(5-2)13(6-7-14)9-10(3)8-12/h10-11,14H,4-9H2,1-3H3
InChIKeyZKUPUFVVQBLGNV-UHFFFAOYSA-N
XLogP2.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol (CID 64995595) is 2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)CC(C)CBr.
What is the InChIKey of 2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol?
The InChIKey is ZKUPUFVVQBLGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrNO/c1-4-11(5-2)13(6-7-14)9-10(3)8-12/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol?
2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol has a molecular weight of 266.22 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 64995595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).