1-(2-aminoethoxy)-2-methylpropan-2-ol;hydrochloride

C6H16ClNO2 — CID 86645446

IUPAC1-(2-aminoethoxy)-2-methylpropan-2-ol;hydrochloride
SMILESCC(C)(O)COCCN.Cl
InChIInChI=1S/C6H15NO2.ClH/c1-6(2,8)5-9-4-3-7;/h8H,3-5,7H2,1-2H3;1H
InChIKeyRCJGKTCECJGPAP-UHFFFAOYSA-N
MW169.65 g/mol
LogP0.15
Rot. Bonds4

About 1-(2-aminoethoxy)-2-methylpropan-2-ol;hydrochloride

1-(2-aminoethoxy)-2-methylpropan-2-ol;hydrochloride (PubChem CID 86645446) has the molecular formula C6H16ClNO2 and a molecular weight of 169.65 g/mol. Its IUPAC name is 1-(2-aminoethoxy)-2-methylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethoxy)-2-methylpropan-2-ol;hydrochloride
PubChem CID86645446
Molecular FormulaC6H16ClNO2
Molecular Weight169.65 g/mol
Exact Mass169.09
IUPAC Name1-(2-aminoethoxy)-2-methylpropan-2-ol;hydrochloride
SMILESCC(C)(O)COCCN.Cl
InChIInChI=1S/C6H15NO2.ClH/c1-6(2,8)5-9-4-3-7;/h8H,3-5,7H2,1-2H3;1H
InChIKeyRCJGKTCECJGPAP-UHFFFAOYSA-N
XLogP0.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.65
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)-2-methylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(2-aminoethoxy)-2-methylpropan-2-ol;hydrochloride (CID 86645446) is 1-(2-aminoethoxy)-2-methylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-aminoethoxy)-2-methylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-aminoethoxy)-2-methylpropan-2-ol;hydrochloride is CC(C)(O)COCCN.Cl.
What is the InChIKey of 1-(2-aminoethoxy)-2-methylpropan-2-ol;hydrochloride?
The InChIKey is RCJGKTCECJGPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.ClH/c1-6(2,8)5-9-4-3-7;/h8H,3-5,7H2,1-2H3;1H.
What are the key properties of 1-(2-aminoethoxy)-2-methylpropan-2-ol;hydrochloride?
1-(2-aminoethoxy)-2-methylpropan-2-ol;hydrochloride has a molecular weight of 169.65 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)-2-methylpropan-2-ol;hydrochloride is sourced from PubChem (CID 86645446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).