3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one

C13H24N2O2 — CID 84598838

IUPAC3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one
SMILESC=C(C)CNC(C(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C13H24N2O2/c1-10(2)9-14-12(11(3)4)13(16)15-5-7-17-8-6-15/h11-12,14H,1,5-9H2,2-4H3
InChIKeyKLSZXPXVADRZLM-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.04
Rot. Bonds5

About 3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one

3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one (PubChem CID 84598838) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one
PubChem CID84598838
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one
SMILESC=C(C)CNC(C(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C13H24N2O2/c1-10(2)9-14-12(11(3)4)13(16)15-5-7-17-8-6-15/h11-12,14H,1,5-9H2,2-4H3
InChIKeyKLSZXPXVADRZLM-UHFFFAOYSA-N
XLogP1.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one (CID 84598838) is 3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one is C=C(C)CNC(C(=O)N1CCOCC1)C(C)C.
What is the InChIKey of 3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one?
The InChIKey is KLSZXPXVADRZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)9-14-12(11(3)4)13(16)15-5-7-17-8-6-15/h11-12,14H,1,5-9H2,2-4H3.
What are the key properties of 3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one?
3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 84598838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).