4-[2,2-dimethylpropyl(2-hydroxyethyl)amino]butan-2-one

C11H23NO2 — CID 58066216

IUPAC4-[2,2-dimethylpropyl(2-hydroxyethyl)amino]butan-2-one
SMILESCC(=O)CCN(CCO)CC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-10(14)5-6-12(7-8-13)9-11(2,3)4/h13H,5-9H2,1-4H3
InChIKeyHSCPNQZTPVDTRG-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.31
Rot. Bonds6

About 4-[2,2-dimethylpropyl(2-hydroxyethyl)amino]butan-2-one

4-[2,2-dimethylpropyl(2-hydroxyethyl)amino]butan-2-one (PubChem CID 58066216) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-[2,2-dimethylpropyl(2-hydroxyethyl)amino]butan-2-one.

Molecular Properties

Compound Name4-[2,2-dimethylpropyl(2-hydroxyethyl)amino]butan-2-one
PubChem CID58066216
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-[2,2-dimethylpropyl(2-hydroxyethyl)amino]butan-2-one
SMILESCC(=O)CCN(CCO)CC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-10(14)5-6-12(7-8-13)9-11(2,3)4/h13H,5-9H2,1-4H3
InChIKeyHSCPNQZTPVDTRG-UHFFFAOYSA-N
XLogP1.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethylpropyl(2-hydroxyethyl)amino]butan-2-one?
The IUPAC name of 4-[2,2-dimethylpropyl(2-hydroxyethyl)amino]butan-2-one (CID 58066216) is 4-[2,2-dimethylpropyl(2-hydroxyethyl)amino]butan-2-one.
What is the SMILES notation for 4-[2,2-dimethylpropyl(2-hydroxyethyl)amino]butan-2-one?
The canonical SMILES for 4-[2,2-dimethylpropyl(2-hydroxyethyl)amino]butan-2-one is CC(=O)CCN(CCO)CC(C)(C)C.
What is the InChIKey of 4-[2,2-dimethylpropyl(2-hydroxyethyl)amino]butan-2-one?
The InChIKey is HSCPNQZTPVDTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(14)5-6-12(7-8-13)9-11(2,3)4/h13H,5-9H2,1-4H3.
What are the key properties of 4-[2,2-dimethylpropyl(2-hydroxyethyl)amino]butan-2-one?
4-[2,2-dimethylpropyl(2-hydroxyethyl)amino]butan-2-one has a molecular weight of 201.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethylpropyl(2-hydroxyethyl)amino]butan-2-one is sourced from PubChem (CID 58066216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).