4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one

C15H30N2O2 — CID 102743692

IUPAC4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one
SMILESCC(C)NCCCC(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C15H30N2O2/c1-12(2)16-9-7-8-13(18)17-10-14(3,4)19-15(5,6)11-17/h12,16H,7-11H2,1-6H3
InChIKeyJPPLZHBJMZBHAR-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.18
Rot. Bonds5

About 4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one

4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one (PubChem CID 102743692) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one.

Molecular Properties

Compound Name4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one
PubChem CID102743692
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one
SMILESCC(C)NCCCC(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C15H30N2O2/c1-12(2)16-9-7-8-13(18)17-10-14(3,4)19-15(5,6)11-17/h12,16H,7-11H2,1-6H3
InChIKeyJPPLZHBJMZBHAR-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.18
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-(propan-2-ylamino)-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
CID 55215249
1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
CID 60649439
1-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 60850574
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
1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 62086138
N-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine
CID 102744605
3-ethyl-1-[4-(propan-2-ylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 63145353
3-ethyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
CID 63134421
1-(3-tert-butylpyrrolidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 113417353
ethyl 4-[4-(propan-2-ylamino)butanoyl]piperazine-1-carboxylate
CID 61041311
1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 62930053

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one?
The IUPAC name of 4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one (CID 102743692) is 4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one.
What is the SMILES notation for 4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one?
The canonical SMILES for 4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one is CC(C)NCCCC(=O)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one?
The InChIKey is JPPLZHBJMZBHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)16-9-7-8-13(18)17-10-14(3,4)19-15(5,6)11-17/h12,16H,7-11H2,1-6H3.
What are the key properties of 4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one?
4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one has a molecular weight of 270.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one is sourced from PubChem (CID 102743692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).