1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one

C11H22N2O2 — CID 60649439

IUPAC1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
SMILESCC(C)NCCCC(=O)N1CCOCC1
InChIInChI=1S/C11H22N2O2/c1-10(2)12-5-3-4-11(14)13-6-8-15-9-7-13/h10,12H,3-9H2,1-2H3
InChIKeyFCARLDMEOZQXBP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds5

About 1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one

1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one (PubChem CID 60649439) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
PubChem CID60649439
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
SMILESCC(C)NCCCC(=O)N1CCOCC1
InChIInChI=1S/C11H22N2O2/c1-10(2)12-5-3-4-11(14)13-6-8-15-9-7-13/h10,12H,3-9H2,1-2H3
InChIKeyFCARLDMEOZQXBP-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
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

1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
(2R)-2-[(4-morpholin-4-yl-4-oxobutyl)amino]propanoic acid
CID 83194331
1-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 60850574
1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone
CID 62342996
4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one
CID 60851819
1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one
CID 60849367
ethyl 4-[4-(propan-2-ylamino)butanoyl]piperazine-1-carboxylate
CID 61041311
1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 62086138
1-morpholin-4-yl-3-(pentan-3-ylamino)propan-1-one
CID 115609879
4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one
CID 102743692
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide
CID 61250344
1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one
CID 115713469

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one?
The IUPAC name of 1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one (CID 60649439) is 1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one?
The canonical SMILES for 1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one is CC(C)NCCCC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one?
The InChIKey is FCARLDMEOZQXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2)12-5-3-4-11(14)13-6-8-15-9-7-13/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one?
1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one is sourced from PubChem (CID 60649439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).