1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one

C9H19NO2 — CID 79390253

IUPAC1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one
SMILESCCC(=O)CN(C)CC(C)(C)O
InChIInChI=1S/C9H19NO2/c1-5-8(11)6-10(4)7-9(2,3)12/h12H,5-7H2,1-4H3
InChIKeyDFXDNMKKPZICCQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.67
Rot. Bonds5

About 1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one

1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one (PubChem CID 79390253) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one.

Molecular Properties

Compound Name1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one
PubChem CID79390253
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one
SMILESCCC(=O)CN(C)CC(C)(C)O
InChIInChI=1S/C9H19NO2/c1-5-8(11)6-10(4)7-9(2,3)12/h12H,5-7H2,1-4H3
InChIKeyDFXDNMKKPZICCQ-UHFFFAOYSA-N
XLogP0.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one
CID 79389969
1-[ethyl(methyl)amino]-2-methylpropan-2-ol;titanium
CID 58881638
3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid
CID 79621087
1-[methyl(2-methylbutan-2-yl)amino]butan-2-one
CID 63966415
1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
CID 79004856
1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
CID 104750928
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
CID 79377752
N-cyclohexyl-N-ethyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964516
2-[tert-butyl(2-oxobutyl)amino]acetic acid
CID 89002120
1-[amino(methyl)amino]butan-2-one
CID 146213557
N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide
CID 79378817
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 78954285

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one?
The IUPAC name of 1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one (CID 79390253) is 1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one.
What is the SMILES notation for 1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one?
The canonical SMILES for 1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one is CCC(=O)CN(C)CC(C)(C)O.
What is the InChIKey of 1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one?
The InChIKey is DFXDNMKKPZICCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-8(11)6-10(4)7-9(2,3)12/h12H,5-7H2,1-4H3.
What are the key properties of 1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one?
1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one has a molecular weight of 173.26 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one is sourced from PubChem (CID 79390253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).