1-amino-2-methylbutan-2-ol;hydrochloride

C5H14ClNO — CID 87715344

IUPAC1-amino-2-methylbutan-2-ol;hydrochloride
SMILESCCC(C)(O)CN.Cl
InChIInChI=1S/C5H13NO.ClH/c1-3-5(2,7)4-6;/h7H,3-4,6H2,1-2H3;1H
InChIKeyLWMUACBNSPKSAX-UHFFFAOYSA-N
MW139.63 g/mol
LogP0.53
Rot. Bonds2

About 1-amino-2-methylbutan-2-ol;hydrochloride

1-amino-2-methylbutan-2-ol;hydrochloride (PubChem CID 87715344) has the molecular formula C5H14ClNO and a molecular weight of 139.63 g/mol. Its IUPAC name is 1-amino-2-methylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-2-methylbutan-2-ol;hydrochloride
PubChem CID87715344
Molecular FormulaC5H14ClNO
Molecular Weight139.63 g/mol
Exact Mass139.08
IUPAC Name1-amino-2-methylbutan-2-ol;hydrochloride
SMILESCCC(C)(O)CN.Cl
InChIInChI=1S/C5H13NO.ClH/c1-3-5(2,7)4-6;/h7H,3-4,6H2,1-2H3;1H
InChIKeyLWMUACBNSPKSAX-UHFFFAOYSA-N
XLogP0.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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 1-amino-2-methylbutan-2-ol;hydrochloride?
The IUPAC name of 1-amino-2-methylbutan-2-ol;hydrochloride (CID 87715344) is 1-amino-2-methylbutan-2-ol;hydrochloride.
What is the SMILES notation for 1-amino-2-methylbutan-2-ol;hydrochloride?
The canonical SMILES for 1-amino-2-methylbutan-2-ol;hydrochloride is CCC(C)(O)CN.Cl.
What is the InChIKey of 1-amino-2-methylbutan-2-ol;hydrochloride?
The InChIKey is LWMUACBNSPKSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.ClH/c1-3-5(2,7)4-6;/h7H,3-4,6H2,1-2H3;1H.
What are the key properties of 1-amino-2-methylbutan-2-ol;hydrochloride?
1-amino-2-methylbutan-2-ol;hydrochloride has a molecular weight of 139.63 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylbutan-2-ol;hydrochloride is sourced from PubChem (CID 87715344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).