2-aminobutan-2-ol;hydrochloride

C4H12ClNO — CID 173024474

IUPAC2-aminobutan-2-ol;hydrochloride
SMILESCCC(C)(N)O.Cl
InChIInChI=1S/C4H11NO.ClH/c1-3-4(2,5)6;/h6H,3,5H2,1-2H3;1H
InChIKeyIGXPPASNWXDASD-UHFFFAOYSA-N
MW125.60 g/mol
LogP0.49
Rot. Bonds1

About 2-aminobutan-2-ol;hydrochloride

2-aminobutan-2-ol;hydrochloride (PubChem CID 173024474) has the molecular formula C4H12ClNO and a molecular weight of 125.60 g/mol. Its IUPAC name is 2-aminobutan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-aminobutan-2-ol;hydrochloride
PubChem CID173024474
Molecular FormulaC4H12ClNO
Molecular Weight125.60 g/mol
Exact Mass125.06
IUPAC Name2-aminobutan-2-ol;hydrochloride
SMILESCCC(C)(N)O.Cl
InChIInChI=1S/C4H11NO.ClH/c1-3-4(2,5)6;/h6H,3,5H2,1-2H3;1H
InChIKeyIGXPPASNWXDASD-UHFFFAOYSA-N
XLogP0.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.60
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminobutan-2-ol;hydrochloride?
The IUPAC name of 2-aminobutan-2-ol;hydrochloride (CID 173024474) is 2-aminobutan-2-ol;hydrochloride.
What is the SMILES notation for 2-aminobutan-2-ol;hydrochloride?
The canonical SMILES for 2-aminobutan-2-ol;hydrochloride is CCC(C)(N)O.Cl.
What is the InChIKey of 2-aminobutan-2-ol;hydrochloride?
The InChIKey is IGXPPASNWXDASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.ClH/c1-3-4(2,5)6;/h6H,3,5H2,1-2H3;1H.
What are the key properties of 2-aminobutan-2-ol;hydrochloride?
2-aminobutan-2-ol;hydrochloride has a molecular weight of 125.60 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutan-2-ol;hydrochloride is sourced from PubChem (CID 173024474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).