4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one

C11H23NO2 — CID 134214874

IUPAC4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one
SMILESCC(C)OCCNCCC(=O)C(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)11(13)5-6-12-7-8-14-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyNPKRXJORAKYVBK-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.62
Rot. Bonds8

About 4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one

4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one (PubChem CID 134214874) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one
PubChem CID134214874
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one
SMILESCC(C)OCCNCCC(=O)C(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)11(13)5-6-12-7-8-14-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyNPKRXJORAKYVBK-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate
CID 134214872
4-methyl-1-(3-methylbutylamino)pentan-3-one
CID 169289840
4-methyl-1-(methylsulfanylmethylamino)pentan-3-one
CID 139518847
4-methyl-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one
CID 176650799
N-methyl-5-(2-propan-2-yloxyethylamino)pentanamide
CID 146243882
3-(3-propan-2-yloxypropylamino)propanamide
CID 2502548
N-(2-bromoethyl)-2-propan-2-yloxyethanamine
CID 114505264
N-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide
CID 168740714
2-propan-2-yloxyethylurea
CID 22179539
3-methyl-1-[2-(3-methyl-2-oxobutoxy)ethoxy]butan-2-one;2-(2-propan-2-yloxyethoxy)propane
CID 163475456
N-(4-methyl-3-oxopentyl)acetamide
CID 20600831
methyl 3-propan-2-yloxypropanoate
CID 18469515

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one?
The IUPAC name of 4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one (CID 134214874) is 4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one.
What is the SMILES notation for 4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one?
The canonical SMILES for 4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one is CC(C)OCCNCCC(=O)C(C)C.
What is the InChIKey of 4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one?
The InChIKey is NPKRXJORAKYVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)11(13)5-6-12-7-8-14-10(3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one?
4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one has a molecular weight of 201.31 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one is sourced from PubChem (CID 134214874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).