3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one

C11H23NO2 — CID 155040585

IUPAC3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one
SMILESCC(C)NCCOCC(=O)C(C)(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)12-6-7-14-8-10(13)11(3,4)5/h9,12H,6-8H2,1-5H3
InChIKeyNSAZQPRDFQHUMX-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.62
Rot. Bonds6

About 3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one

3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one (PubChem CID 155040585) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one
PubChem CID155040585
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one
SMILESCC(C)NCCOCC(=O)C(C)(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)12-6-7-14-8-10(13)11(3,4)5/h9,12H,6-8H2,1-5H3
InChIKeyNSAZQPRDFQHUMX-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one
CID 59866714
5,5-dimethyl-4-oxo-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]hexanamide
CID 139469641
1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
3,3-dimethyl-1-(2-propan-2-yloxyethoxy)butan-2-one
CID 43799168
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
CID 177155890
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;molecular hydrogen
CID 171106543
N-(3-methylbutan-2-yl)-2-[2-(propan-2-ylamino)ethoxy]acetamide
CID 62341645
N-[2-(2-chloroprop-2-enoxy)ethyl]propan-2-amine
CID 62342403
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665
3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide
CID 135224068
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 176981069

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one?
The IUPAC name of 3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one (CID 155040585) is 3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one?
The canonical SMILES for 3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one is CC(C)NCCOCC(=O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one?
The InChIKey is NSAZQPRDFQHUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)12-6-7-14-8-10(13)11(3,4)5/h9,12H,6-8H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one?
3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one has a molecular weight of 201.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one is sourced from PubChem (CID 155040585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).