2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol

C10H20BrNO — CID 64997494

IUPAC2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol
SMILESCC(C)(CBr)CN(CCO)C1CC1
InChIInChI=1S/C10H20BrNO/c1-10(2,7-11)8-12(5-6-13)9-3-4-9/h9,13H,3-8H2,1-2H3
InChIKeyIJFVMROVVFDQBW-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.86
Rot. Bonds6

About 2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol

2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol (PubChem CID 64997494) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol
PubChem CID64997494
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol
SMILESCC(C)(CBr)CN(CCO)C1CC1
InChIInChI=1S/C10H20BrNO/c1-10(2,7-11)8-12(5-6-13)9-3-4-9/h9,13H,3-8H2,1-2H3
InChIKeyIJFVMROVVFDQBW-UHFFFAOYSA-N
XLogP1.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[Cyclopropyl(2,2-dimethylpropyl)amino]ethanol
CID 115880359
2-[3-Bromopropyl(propyl)amino]ethanol
CID 61425252
2-[3-Bromopropyl(propan-2-yl)amino]ethanol
CID 61579089
2-[2-Bromoethyl(cyclopropyl)amino]ethanol
CID 61579093
2-[4-Bromobutyl(cyclopropyl)amino]ethanol
CID 61579094
2-[4-Bromobutyl(propan-2-yl)amino]ethanol
CID 61579118
2-[3-Bromopropyl(cyclopropyl)amino]ethanol
CID 61579120
2-[3-Bromopropyl(pentan-3-yl)amino]ethanol
CID 61584692
2-[2-Bromoethyl(pentan-3-yl)amino]ethanol
CID 61584730
2-[4-Bromobutyl(pentan-3-yl)amino]ethanol
CID 61584731
2-[5-Bromopentyl(cyclopropyl)amino]ethanol
CID 64204385
2-[(3-Bromo-2-methylpropyl)-propan-2-ylamino]ethanol
CID 64995533

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol?
The IUPAC name of 2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol (CID 64997494) is 2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol is CC(C)(CBr)CN(CCO)C1CC1.
What is the InChIKey of 2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol?
The InChIKey is IJFVMROVVFDQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-10(2,7-11)8-12(5-6-13)9-3-4-9/h9,13H,3-8H2,1-2H3.
What are the key properties of 2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol?
2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol has a molecular weight of 250.18 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol is sourced from PubChem (CID 64997494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).