(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride

C8H20ClNO — CID 155820922

IUPAC(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride
SMILESCC[C@H](N)COC(C)(C)C.Cl
InChIInChI=1S/C8H19NO.ClH/c1-5-7(9)6-10-8(2,3)4;/h7H,5-6,9H2,1-4H3;1H/t7-;/m0./s1
InChIKeyZFQYJPPTTHKUJI-FJXQXJEOSA-N
MW181.71 g/mol
LogP1.96
Rot. Bonds3

About (2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride

(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride (PubChem CID 155820922) has the molecular formula C8H20ClNO and a molecular weight of 181.71 g/mol. Its IUPAC name is (2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride
PubChem CID155820922
Molecular FormulaC8H20ClNO
Molecular Weight181.71 g/mol
Exact Mass181.12
IUPAC Name(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride
SMILESCC[C@H](N)COC(C)(C)C.Cl
InChIInChI=1S/C8H19NO.ClH/c1-5-7(9)6-10-8(2,3)4;/h7H,5-6,9H2,1-4H3;1H/t7-;/m0./s1
InChIKeyZFQYJPPTTHKUJI-FJXQXJEOSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.71
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride?
The IUPAC name of (2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride (CID 155820922) is (2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride?
The canonical SMILES for (2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride is CC[C@H](N)COC(C)(C)C.Cl.
What is the InChIKey of (2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride?
The InChIKey is ZFQYJPPTTHKUJI-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H19NO.ClH/c1-5-7(9)6-10-8(2,3)4;/h7H,5-6,9H2,1-4H3;1H/t7-;/m0./s1.
What are the key properties of (2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride?
(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride has a molecular weight of 181.71 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride is sourced from PubChem (CID 155820922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).