3-amino-3-methylbutan-2-ol;hydrochloride

C5H14ClNO — CID 13319223

IUPAC3-amino-3-methylbutan-2-ol;hydrochloride
SMILESCC(O)C(C)(C)N.Cl
InChIInChI=1S/C5H13NO.ClH/c1-4(7)5(2,3)6;/h4,7H,6H2,1-3H3;1H
InChIKeyRRYZUVBCTHMABY-UHFFFAOYSA-N
MW139.63 g/mol
LogP0.53
Rot. Bonds1

About 3-amino-3-methylbutan-2-ol;hydrochloride

3-amino-3-methylbutan-2-ol;hydrochloride (PubChem CID 13319223) has the molecular formula C5H14ClNO and a molecular weight of 139.63 g/mol. Its IUPAC name is 3-amino-3-methylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-methylbutan-2-ol;hydrochloride
PubChem CID13319223
Molecular FormulaC5H14ClNO
Molecular Weight139.63 g/mol
Exact Mass139.08
IUPAC Name3-amino-3-methylbutan-2-ol;hydrochloride
SMILESCC(O)C(C)(C)N.Cl
InChIInChI=1S/C5H13NO.ClH/c1-4(7)5(2,3)6;/h4,7H,6H2,1-3H3;1H
InChIKeyRRYZUVBCTHMABY-UHFFFAOYSA-N
XLogP0.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.63
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methylbutan-2-ol;hydrochloride?
The IUPAC name of 3-amino-3-methylbutan-2-ol;hydrochloride (CID 13319223) is 3-amino-3-methylbutan-2-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-methylbutan-2-ol;hydrochloride?
The canonical SMILES for 3-amino-3-methylbutan-2-ol;hydrochloride is CC(O)C(C)(C)N.Cl.
What is the InChIKey of 3-amino-3-methylbutan-2-ol;hydrochloride?
The InChIKey is RRYZUVBCTHMABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.ClH/c1-4(7)5(2,3)6;/h4,7H,6H2,1-3H3;1H.
What are the key properties of 3-amino-3-methylbutan-2-ol;hydrochloride?
3-amino-3-methylbutan-2-ol;hydrochloride has a molecular weight of 139.63 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methylbutan-2-ol;hydrochloride is sourced from PubChem (CID 13319223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).