4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one

C13H26N2O2 — CID 166717166

IUPAC4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCCN(CC)CC(C)CC(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-4-14(5-2)11-12(3)10-13(16)15-6-8-17-9-7-15/h12H,4-11H2,1-3H3
InChIKeyRPNCUPPWSXZLAG-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.21
Rot. Bonds6

About 4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one

4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one (PubChem CID 166717166) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one
PubChem CID166717166
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCCN(CC)CC(C)CC(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-4-14(5-2)11-12(3)10-13(16)15-6-8-17-9-7-15/h12H,4-11H2,1-3H3
InChIKeyRPNCUPPWSXZLAG-UHFFFAOYSA-N
XLogP1.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(diethylamino)-3-methyl-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

Related Compounds

4-(diethylamino)-3-methyl-1-morpholin-4-ylpentan-1-one
CID 166717167
formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one
CID 143869951
2-methyl-4-morpholin-4-yl-4-oxobutanenitrile
CID 82111559
(2R)-2-ethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 59930843
(2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
CID 54200282
N-ethyl-N-(2-ethylbutyl)morpholine-4-carboxamide
CID 115589059
ethane;(2-morpholin-4-yl-2-oxoethyl)azanide;yttrium
CID 153399009
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
2-(2-methylpropoxyamino)-1-morpholin-4-ylethanone
CID 82715515
4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 81087000
3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid
CID 62853315

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one (CID 166717166) is 4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one is CCN(CC)CC(C)CC(=O)N1CCOCC1.
What is the InChIKey of 4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is RPNCUPPWSXZLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-14(5-2)11-12(3)10-13(16)15-6-8-17-9-7-15/h12H,4-11H2,1-3H3.
What are the key properties of 4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one?
4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 166717166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).